CAS 95034-05-2 tert-butyl N-(2-amino-2-methylpropyl)carbamate (HCID 17909918)

基本情報

CAS: 95034-05-2
標準SMILES: CC(C)(N)CNC(=O)OC(C)(C)C
InChIKey: KCBBEHBEAPOBSC-UHFFFAOYSA-N
分子式: C9H20N2O2
平均分子量: 188.27 g/mol
単同位体質量: 188.15247788

名称と識別子

優先名称: tert-butyl N-(2-amino-2-methylpropyl)carbamate
IUPAC: tert-butyl N-(2-amino-2-methylpropyl)carbamate
英語名: (2-Amino-2-methyl-propyl)-carbamic acid tert-butyl ester
分子式: C9H20N2O2
分子量: 188.27

名称と別名

tert-butyl N-(2-amino-2-methylpropyl)carbamateRefChem:895624825-651-595034-05-2tert-Butyl (2-amino-2-methylpropyl)carbamateMFCD11040212(2-AMINO-2-METHYL-PROPYL)-CARBAMIC ACID TERT-BUTYL ESTERtert-butyl N-(2-amino-2-methyl-propyl)carbamatetert-butyl 2-amino-2-methylpropylcarbamateN1-Boc-2-methyl-1,2-propanediaminet-butyl (2-amino-2-methyl-1-propyl)carbamateSCHEMBL854272

名称をさらに表示

ert-butylN-(2-amino-2-methylpropyl)carbamate2-methyl-2-amino-tertbutyloxycarbonylpropylaminetert-butyl N-(2-amino-2-methyl-propyl)carbamate - [B88046]Carbamic acid, N-(2-amino-2-methylpropyl)-, 1,1-dimethylethyl ester

DTXSID60591565VDA03405Carbamic acid, (2-amino-2-methylpropyl)-, 1,1-dimethylethyl esterAKOS006283671SB40187BS-13868SY186730DB-080166

データベース識別子

CAS: 95034-05-2
PubChem CID: 17909918
DTXSID: DTXSID60591565
EC Number: 825-651-5
Nikkaji: J1.822.084I

物性

構造計算による物性

XLogP: 0.6
極性表面積: 64.4 Å²
水素結合供与体数: 2
水素結合受容体数: 3
回転可能結合数: 4
重原子数: 13
形式電荷: 0
複雑度: 183

物理化学的性質

沸点: 275.1 · 275.1±23.0 °C(Predicted)
比重(密度): 0.974 · 0.974±0.06 g/cm3(Predicted)
貯蔵温度: 2 · 2-8°C(protect from light)
酸解離定数(Pka): 13.42 · 13.42±0.46(Predicted)

安全と法規制

GHS分類

GHS Classification · 4 件

Warning

H303 (100%): May be harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 2 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.