CAS 75178-87-9|tert-butyl N-(4-hydroxybutyl)carbamate|tert-Butyl N-(4-hydroxybutyl)carbamate|tert-butyl N-(4-hydroxybutyl)carbamate|N-(4-Hydroxybutyl)carbamic Acid 1,1-Dimethylethyl Ester|4-(Boc-ami...

基本信息

化学结构

分子式

C₉H₁₉NO₃

分子量

189.25206

精确质量

189.13649347

电荷

InChI

InChI=1S/C9H19NO3/c1-9(2,3)13-8(12)10-6-4-5-7-11/h11H,4-7H2,1-3H3,(H,10,12)

InChIKey

LIYMTLVBAVHPBU-UHFFFAOYSA-N

Canonic Smiles

OCCCCNC(=O)OC(C)(C)C

Isomeric Smiles

C(=O)(OC(C)(C)C)NCCCCO

计算属性

JChem

Acid pKa

15.651998

质子受体

质子供体

LogD (pH = 5.5)

0.7538589

LogD (pH = 7.4)

0.7538589

Log P

0.7538589

摩尔折射率

50.5941

极化性

19.85728

极化表面积

58.56

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传统名

tert-butyl N-(4-hydroxybutyl)carbamate

别名

tert-Butyl N-(4-hydroxybutyl)carbamateN-(4-Hydroxybutyl)carbamic Acid 1,1-Dimethylethyl Estertert-Butyl N-(4-hydroxybutyl)carbamate4-(Boc-amino)-1-butanol1,1-Dimethylethyl (4-Hydroxybutyl)carbamate4-(t-Boc-amino)-1-butanol4-(Boc-氨基)-1-丁醇N-(4-羟丁基)氨基甲酸叔丁酯

IUPAC标准名

tert-butyl N-(4-hydroxybutyl)carbamate

名称和标识

数据登录号

CAS号

PubChem CID

PubChem SID

MDL号