![C20H31NO5 Aigéad heptoanoic, 3- hiodrocsa-5-meitil-4-[[(feinilmethoxy) carbóinigh] aimín]-, 1,1-dimethylethyl eistir, [3r (3r*, 4s*, 5s*)]-(9ci) H301 H301](http://cdn.globalso.com/nvchem/style/global/img/demo/page_banner.jpg)
![C20H31NO5 Aigéad heptoanoic, 3- hiodrocsa-5-meitil-4-[[(phenylmethoxy) carbóinigh] aimín]-, 1,1-dimethylethyl eistir, [3r (3r*, 4s*, 5s*)]-(9ci) Íomhá le feiceáil H301 H301](https://cdn.globalso.com/nvchem/C20H31NO5-Heptanoic-acid.jpg)
C20H31NO5 Aigéad heptoanoic, 3- hiodrocsa-5-meitil-4-[[(feinilmethoxy) carbóinigh] aimín]-, 1,1-dimethylethyl eistir, [3r (3r*, 4s*, 5s*)]-(9ci) H301 H301
| Príomh -airíonna fisiceacha | Luach | Coinníollacha a chur le |
| Meáchan móilíneach | 365.46 | - |
| Fiuchphointe (tuartha) | 504.1 ± 50.0 ° C. | Brúigh: 760 Torr |
| Dlús (tuartha) | 1.091 ± 0.06 g/cm3 | TEMP: 20 ° C; Brúigh: 760 Torr |
| PKA (tuartha) | 11.82 ± 0.46 | An luas is aigéid: 25 ° C. |
Smiles Canónach O = C (OCC = 1C = CC = CC1) NC (C (O) CC (= O) OC (C) (C) C) C (C) CC CC
Smiles isiméireacha [C@H] ([C @@ h] (CC (OC (C) (C) C) = O) O) (NC (OCC1 = CC = CC = C1) = O) [C@H] (CC) C
Orlach
Inchi = 1S/C20H31NO5/C1-6-14 (2) 18 (16 (22) 12-17 (23) 26-20 (3,4) 5) 21-19 (24) 25-13-15-10-8-7-9-11-15/H7-11,14,16,18,22H, 6,12-13H2,1-55 H3, (H, 21,24)/T14-, 16+, 18-/M0/S1
Eochair Inchi
Aztsbawjrolriq-lescradosa-n
| Airíonna atá ar fáil |
| Bitheolaíoch |
| Ceimiceán |
| Dlús |
| Lipinski |
| A bhaineann le struchtúr |
| Teirmeach |
Bitheolaíoch
| Maoin | Luach | Coinníollacha a chur le | Aimsigh |
| Fachtóir bith -chomhchruinnithe | 616 | pH 1; TEMP: 25 ° C. | (1) ACD |
| Fachtóir bith -chomhchruinnithe | 617 | pH 2; TEMP: 25 ° C. | (1) ACD |
| Fachtóir bith -chomhchruinnithe | 617 | pH 3; TEMP: 25 ° C. | (1) ACD |
| Fachtóir bith -chomhchruinnithe | 617 | pH 4; TEMP: 25 ° C. | (1) ACD |
| Fachtóir bith -chomhchruinnithe | 617 | pH 5; TEMP: 25 ° C. | (1) ACD |
| Fachtóir bith -chomhchruinnithe | 617 | pH 6; TEMP: 25 ° C. | (1) ACD |
| Fachtóir bith -chomhchruinnithe | 617 | pH 7; TEMP: 25 ° C. | (1) ACD |
| Fachtóir bith -chomhchruinnithe | 617 | pH 8; TEMP: 25 ° C. | (1) ACD |
| Fachtóir bith -chomhchruinnithe | 616 | pH 9; TEMP: 25 ° C. | (1) ACD |
| Fachtóir bith -chomhchruinnithe | 604 | pH 10; TEMP: 25 ° C. | (1) ACD |
.
Ceimiceán
| Maoin | Luach | Coinníollacha a chur le | Aimsigh |
| KOC | 3450 | pH 1; TEMP: 25 ° C. | (1) ACD |
| KOC | 3460 | pH 2; TEMP: 25 ° C. | (1) ACD |
| KOC | 3460 | pH 3; TEMP: 25 ° C. | (1) ACD |
| KOC | 3460 | pH 4; TEMP: 25 ° C. | (1) ACD |
| KOC | 3460 | pH 5; TEMP: 25 ° C. | (1) ACD |
| KOC | 3460 | pH 6; TEMP: 25 ° C. | (1) ACD |
| KOC | 3460 | pH 7; TEMP: 25 ° C. | (1) ACD |
| KOC | 3460 | pH 8; TEMP: 25 ° C. | (1) ACD |
| KOC | 3450 | pH 9; TEMP: 25 ° C. | (1) ACD |
| KOC | 3390 | pH 10; TEMP: 25 ° C. | (1) ACD |
| logáil | 3.97 | pH 1; TEMP: 25 ° C. | (1) ACD |
| Maoin | Luach | Coinníollacha a chur le | Aimsigh |
| logáil | 3.97 | pH 2; TEMP: 25 ° C. | (1) ACD |
| logáil | 3.97 | pH 3; TEMP: 25 ° C. | (1) ACD |
| logáil | 3.97 | pH 4; TEMP: 25 ° C. | (1) ACD |
| logáil | 3.97 | pH 5; TEMP: 25 ° C. | (1) ACD |
| logáil | 3.97 | pH 6; TEMP: 25 ° C. | (1) ACD |
| logáil | 3.97 | pH 7; TEMP: 25 ° C. | (1) ACD |
| logáil | 3.97 | pH 8; TEMP: 25 ° C. | (1) ACD |
| logáil | 3.97 | pH 9; TEMP: 25 ° C. | (1) ACD |
| logáil | 3.96 | pH 10; TEMP: 25 ° C. | (1) ACD |
| logáil | 3.974 ± 0.543 | TEMP: 25 ° C. | (1) ACD |
| Aifreann Intreach intreach | 0.062 g/L. | TEMP: 25 ° C. | (1) ACD |
| Aifreann tuaslagthachta | 0.062 g/L. | pH 1; TEMP: 25 ° C. | (1) ACD |
| Aifreann tuaslagthachta | 0.062 g/L. | pH 2; TEMP: 25 ° C. | (1) ACD |
| Aifreann tuaslagthachta | 0.062 g/L. | pH 3; TEMP: 25 ° C. | (1) ACD |
| Aifreann tuaslagthachta | 0.062 g/L. | pH 4; TEMP: 25 ° C. | (1) ACD |
| Aifreann tuaslagthachta | 0.062 g/L. | pH 5; TEMP: 25 ° C. | (1) ACD |
| Aifreann tuaslagthachta | 0.062 g/L. | pH 6; TEMP: 25 ° C. | (1) ACD |
| Aifreann tuaslagthachta | 0.062 g/L. | pH 7; TEMP: 25 ° C. | (1) ACD |
| Aifreann tuaslagthachta | 0.062 g/L. | pH 8; TEMP: 25 ° C. | (1) ACD |
| Aifreann tuaslagthachta | 0.062 g/L. | pH 9; TEMP: 25 ° C. | (1) ACD |
| Aifreann tuaslagthachta | 0.062 g/L. | pH 10; TEMP: 25 ° C. | (1) ACD |
| Aifreann tuaslagthachta | 0.062 g/L. | Uisce neamh -mhaolaithe pH 6.99; TEMP: 25 ° C. | (1) ACD |
| Intuaslagthacht intreach molar | 1.7 x 10-4 mol/l | TEMP: 25 ° C. | (1) ACD |
| Tuaslagthacht molar | 1.7 x 10-4 mol/l | pH 1; TEMP: 25 ° C. | (1) ACD |
| Tuaslagthacht molar | 1.7 x 10-4 mol/l | pH 2; TEMP: 25 ° C. | (1) ACD |
| Tuaslagthacht molar | 1.7 x 10-4 mol/l | pH 3; TEMP: 25 ° C. | (1) ACD |
| Tuaslagthacht molar | 1.7 x 10-4 mol/l | pH 4; TEMP: 25 ° C. | (1) ACD |
| Tuaslagthacht molar | 1.7 x 10-4 mol/l | pH 5; TEMP: 25 ° C. | (1) ACD |
| Tuaslagthacht molar | 1.7 x 10-4 mol/l | pH 6; TEMP: 25 ° C. | (1) ACD |
| Tuaslagthacht molar | 1.7 x 10-4 mol/l | pH 7; TEMP: 25 ° C. | (1) ACD |
| Tuaslagthacht molar | 1.7 x 10-4 mol/l | pH 8; TEMP: 25 ° C. | (1) ACD |
| Tuaslagthacht molar | 1.7 x 10-4 mol/l | pH 9; TEMP: 25 ° C. | (1) ACD |
| Maoin | Luach | Coinníollacha a chur le | Aimsigh |
| Tuaslagthacht molar | 1.7 x 10-4 mol/l | pH 10; TEMP: 25 ° C. | (1) ACD |
| Tuaslagthacht molar | 1.7 x 10-4 mol/l | Uisce neamh -mhaolaithe pH 6.99; TEMP: 25 ° C. | (1) ACD |
| Meáchan móilíneach | 365.46 | ||
| pka | 11.82 ± 0.46 | An luas is aigéid: 25 ° C. | (1) ACD |
| pka | -1.56 ± 0.70 | An luas is bunúsaí: 25 ° C. | (1) ACD |
| Brú gaile | 5.56 x 10-11 Torr | TEMP: 25 ° C. | (1) ACD |
.
Dlús
| Maoin | Luach | Coinníollacha a chur le | Aimsigh |
| Dlús | 1.091 ± 0.06 g/cm3 | TEMP: 20 ° C; Brúigh: 760 Torr | (1) ACD |
| Toirt molar | 334.7 ± 3.0 cm3/mol | TEMP: 20 ° C; Brúigh: 760 Torr | (1) ACD |
.
Lipinski
| Maoin | Luach | Coinníollacha a chur le | Aimsigh |
| Bannaí rotatable faoi shaoirse | 12 | (1) ACD | |
| H Glacadóirí | 6 | (1) ACD | |
| Hontóirí H. | 2 | (1) ACD | |
| H suim deontóra/glacadóir | 8 | (1) ACD | |
| logáil | 3.974 ± 0.543 | TEMP: 25 ° C. | (1) ACD |
| Meáchan móilíneach | 365.46 |
.
A bhaineann le struchtúr
| Maoin | Luach | Coinníollacha a chur le | Aimsigh |
| Achar dromchla polar | 84.9 A2 | (1) ACD | |
.
Teirmeach
| Maoin | Luach | Coinníollacha a chur le | Aimsigh |
| Fiuchphointe | 504.1 ± 50.0 ° C. | Brúigh: 760 Torr | (1) ACD |
| Eantalpacht an ghalraithe | 81.44 ± 3.0 kJ/mol | Brúigh: 760 Torr | (1) ACD |
| Bonnphointe | 258.6 ± 30.1 ° C. | (1) ACD |
.
Speictrim ar fáil
1H NMR
13c NMR
| Cód | Ráiteas guaise | Aimsigh |
| H301 | Tocsaineach má shlogtar é | Fardal Aicmithe & Lipéadú na Gníomhaireachta Ceimiceach Eorpach (ECHA) - Aicmiú agus Lipéadú Fógraithe - Fógraí is Coitianta, Fardal Aicmithe & Lipéadú na Gníomhaireachta Ceimiceach Eorpach - Aicmiú agus Lipéadú Fógraithe - Fógraí is tromchúisí |
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