CAS 19408-84-5|Dihydrocapsaicin|8-METHYL-N-VANILLYLNONANAMIDE|N-[(4-hydroxy-3-methoxyphenyl)methyl]-8-methylnonanamide|dihydrocapsaicin|N-[(4-Hydroxy-3-methoxy-phenyl)methyl]- 8-methyl-nonanamide|8-...

基本信息

化学结构

分子式

C₁₈H₂₉NO₃

分子量

307.42776

精确质量

307.21474379

电荷

InChI

InChI=1S/C18H29NO3/c1-14(2)8-6-4-5-7-9-18(21)19-13-15-10-11-16(20)17(12-15)22-3/h10-12,14,20H,4-9,13H2,1-3H3,(H,19,21)

InChIKey

XJQPQKLURWNAAH-UHFFFAOYSA-N

Canonic Smiles

COc1cc(CNC(=O)CCCCCCC(C)C)ccc1O

Isomeric Smiles

COc1c(O)ccc(CNC(=O)CCCCCCC(C)C)c1

计算属性

JChem

LogD (pH = 7.4)

4.11

LogD (pH = 5.5)

4.11

Log P

4.11

可自由旋转的化学键

质子供体

质子受体

里宾斯基五规则

true

Acid pKa

9.93

极化表面积

58.56

极化性

36.65

摩尔折射率

89.20

LOG S

-4.95

数据来源

名称和标识

别名

Dihydrocapsaicin8-METHYL-N-VANILLYLNONANAMIDEN-[(4-Hydroxy-3-methoxy-phenyl)methyl]- 8-methyl-nonanamide8-Methyl-N-vanillylnonanamide6,7-DihydrocapsaicieVanillylamide of 8-methylnonanoic acieDHeDihydrocapsaicieCCRIS 1589Dihydrocapsaicin二氢辣椒素DihydrocapsaicinN-(4-羟基-3-甲氧基苄基)-8-甲基壬酰胺Dihydro CapsaicinN-[(4-Hydroxy-3-methoxyphenyl)methyl]-8-methylnonanamide6,7-Dihydrocapsaicindihydrocapsaicin6,7-Dihydrocapsaicin8-methyl-N-vanillylnonanamide

IUPAC标准名

N-[(4-hydroxy-3-methoxyphenyl)methyl]-8-methylnonanamide

IUPAC传统名

dihydrocapsaicin

名称和标识

数据登录号

CAS号

19408-84-5

Chemspider ID

97096

维基百科标题

Dihydrocapsaicin