CAS 177911-87-4|tert-butyl 2-(aminomethyl)pyrrolidine-1-carboxylate|tert-butyl 2-(aminomethyl)pyrrolidine-1-carboxylate|1-Boc-2-(Aminomethylpyrrolidine)|tert-butyl 2-(aminomethyl)pyrrolidine-1-carbo...

基本信息

化学结构

分子式

C₁₀H₂₀N₂O₂

分子量

200.278

精确质量

200.15247789

电荷

InChI

InChI=1S/C10H20N2O2/c1-10(2,3)14-9(13)12-6-4-5-8(12)7-11/h8H,4-7,11H2,1-3H3

InChIKey

SOGXYCNKQQJEED-UHFFFAOYSA-N

Canonic Smiles

NCC1CCCN1C(=O)OC(C)(C)C

Isomeric Smiles

N1(C(CCC1)CN)C(=O)OC(C)(C)C

计算属性

JChem

质子受体

质子供体

LogD (pH = 5.5)

-2.1848848

LogD (pH = 7.4)

-0.99901706

Log P

0.75889534

摩尔折射率

54.8495

极化性

21.854008

极化表面积

55.56

可自由旋转的化学键

里宾斯基五规则

true

数据来源

名称和标识

IUPAC标准名

tert-butyl 2-(aminomethyl)pyrrolidine-1-carboxylate

别名

1-Boc-2-(Aminomethylpyrrolidine)tert-butyl 2-(aminomethyl)pyrrolidine-1-carboxylatetert-Butyl-2-(aminomethyl)pyrrolidine-1-carboxylate1-Boc-2-(aminomethyl)pyrrolidine1-Boc-2-(Aminomethyl)pyrrolidine(±)-1-Boc-2-(aminomethyl)pyrrolidine(+/-)-1-tert-Butoxycarbonyl-2-(aminomethyl)pyrrolidinetert-Butyl 2-(aminomethyl)pyrrolidine-1-carboxylate(+/-)-1-Boc-2-(氨甲基)吡咯烷2-Aminomethyl-pyrrolidine-1-carboxylic acid tert-butyl ester

IUPAC传统名

tert-butyl 2-(aminomethyl)pyrrolidine-1-carboxylate

名称和标识

数据登录号

MDL号

CAS号

PubChem CID

PubChem SID