CAS 7568-93-6|phenylethanolamine|alpha-(Aminomethyl)benzyl alcohol 98%|2-amino-1-phenylethan-1-ol|2-Amino-1-phenylethan-1-ol|beta-Hydroxyphenethylamine|2-Amino-1-phenylethanol|DL-β-HYDROXYPHENE...

基本信息

化学结构

分子式

C₈H₁₁NO

分子量

137.17904

精确质量

137.08406398

电荷

InChI

InChI=1S/C8H11NO/c9-6-8(10)7-4-2-1-3-5-7/h1-5,8,10H,6,9H2

InChIKey

ULSIYEODSMZIPX-UHFFFAOYSA-N

Canonic Smiles

NCC(c1ccccc1)O

Isomeric Smiles

NCC(c1ccccc1)O

计算属性

JChem

LogD (pH = 7.4)

-1.11

LogD (pH = 5.5)

-2.43

Log P

0.47

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

8.98

极化表面积

46.25

极化性

15.18

摩尔折射率

40.49

LOG S

-0.95

数据来源

名称和标识

IUPAC传统名

phenylethanolamine β-phenylethanolamine β phenylethanolamine

别名

alpha-(Aminomethyl)benzyl alcohol 98%2-Amino-1-phenylethan-1-olbeta-Hydroxyphenethylamine2-Amino-1-phenylethanolDL-β-HYDROXYPHENETHYLAMINEPhenylethanolaminePhenylethanolamineα-(Aminomethyl)benzyl alcoholDL-β-Hydroxyphenethylamineα-(氨基甲基)苄醇2-氨基-1-苯乙醇苯基乙醇胺2-Amino-1-phenylethanolDL-Phenylethanolamineβ-Hydroxyphenylethylamine2-氨基-1-苯乙醇(±)-2-Amino-1-phenylethanolDL-β-羟基苯乙胺(RS)-2-Amino-1-phenylethanolDL-β-Hydroxyphenethylamine(±)-Phenylethanolamineα-(Aminomethyl)benzenemethanolBisnorephedrineβ-Phenethanolamine(±)-1-Phenylethanolamine(±)-α-Phenylglycinol2-AMino-1-phenylethanolbeta-Phenethanolamine2-Hydroxy-2-phenylethylaminephenylethanolamine2-amino-1-phenylethanolPhenylethanolaminealpha-(aminomethyl)benzyl alcoholbeta-HydroxyphenethylamineBisnorephedrinealpha-(Aminomethyl)benzyl alcoholbeta-Hydroxy-beta-phenylethylamine2-Phenyl-2-hydroxyethylamine2-HydroxyphenethylaminePhenethanolaminebeta-Phenylethanolamine2-Amino-1-phenylethanol

IUPAC标准名

2-amino-1-phenylethan-1-ol

名称和标识

数据登录号

CAS号

EC号

MDL号

PubChem CID