CAS 14006-32-7|(4-phenyloxan-4-yl)methanamine|C-(4-Phenyl-tetrahydro-pyran-4-yl)-methylamine|(4-phenyloxan-4-yl)methanamine|(4-phenyltetrahydropyran-4-yl)methylamine|(4-Phenyltetrahydro-2H-pyran-4-y...

基本信息

化学结构

分子式

C₁₂H₁₇NO

分子量

191.26948

精确质量

191.13101417

电荷

InChI

InChI=1S/C12H17NO/c13-10-12(6-8-14-9-7-12)11-4-2-1-3-5-11/h1-5H,6-10,13H2

InChIKey

IPYDNTFWMDEOBW-UHFFFAOYSA-N

Canonic Smiles

NCC1(CCOCC1)c1ccccc1

Isomeric Smiles

C1(c2ccccc2)(CN)CCOCC1

计算属性

JChem

质子受体

质子供体

LogD (pH = 5.5)

-1.6773962

LogD (pH = 7.4)

-0.71972436

Log P

1.3081328

摩尔折射率

57.7054

极化性

22.804989

极化表面积

35.25

可自由旋转的化学键

里宾斯基五规则

true

数据来源

产品目录

学术数据

数据来源

名称和标识

IUPAC标准名

(4-phenyloxan-4-yl)methanamine

别名

C-(4-Phenyl-tetrahydro-pyran-4-yl)-methylamine(4-phenyltetrahydropyran-4-yl)methylamine(4-Phenyltetrahydro-2H-pyran-4-yl)methylamine4-(Aminomethyl)-4-phenyltetrahydro-2H-pyran(4-phenyltetrahydro-2H-pyran-4-yl)methylamine1-(4-phenyltetrahydro-2H-pyran-4-yl)methanamine

IUPAC传统名

(4-phenyloxan-4-yl)methanamine

名称和标识

数据登录号

CAS号

MDL号

PubChem CID

PubChem SID