CAS 75178-90-4|tert-butyl N-(5-hydroxypentyl)carbamate|tert-Butyl 5-hydroxypentylcarbamate|5-Aminopentan-1-ol, N-BOC protected 95%|tert-butyl N-(5-hydroxypentyl)carbamate|N-(5-羟基戊基)氨基甲酸叔丁...

基本信息

化学结构

分子式

C₁₀H₂₁NO₃

分子量

203.27864

精确质量

203.15214354

电荷

InChI

InChI=1S/C10H21NO3/c1-10(2,3)14-9(13)11-7-5-4-6-8-12/h12H,4-8H2,1-3H3,(H,11,13)

InChIKey

DDGNGFVNTZJMMZ-UHFFFAOYSA-N

Canonic Smiles

OCCCCCNC(=O)OC(C)(C)C

Isomeric Smiles

OCCCCCNC(=O)OC(C)(C)C

计算属性

JChem

Acid pKa

15.9960165

质子受体

质子供体

LogD (pH = 5.5)

1.1984276

LogD (pH = 7.4)

1.1984276

Log P

1.1984276

摩尔折射率

55.1951

极化性

21.69024

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标准名

tert-butyl N-(5-hydroxypentyl)carbamate

别名

5-Aminopentan-1-ol, N-BOC protected 95%tert-Butyl 5-hydroxypentylcarbamateN-(5-羟基戊基)氨基甲酸叔丁酯5-(Boc-氨基)-1-戊醇tert-Butyl N-(5-hydroxypentyl)carbamate5-(Boc-amino)-1-pentanol5-[[(t-Butyloxy)carbonyl]amino]pentanol5-(tert-Butoxycarbonyl)amino-1-pentanol5-(t-Boc-amino)-1-pentanolN-(tert-Butoxycarbonyl)-5-aminopentanoltert-Butyl (5-hydroxypentyl)carbamateN-(5-Hydroxypentyl)carbamic Acid 1,1-Dimethylethyl Ester5-(tert-Butoxycarbonylamino)-1-pentanol

IUPAC传统名

tert-butyl N-(5-hydroxypentyl)carbamate

名称和标识

数据登录号

CAS号

MDL号

PubChem SID

PubChem CID