tert-butyl N-methyl-N-(3-(methylamino)propyl)carbamate

HCID 17868293CAS 123183-72-2

基本情報

標準SMILES: CNCCCN(C)C(=O)OC(C)(C)C
InChIKey: QRXUKURKZNOVAF-UHFFFAOYSA-N
分子式: C10H22N2O2
平均分子量: 202.29 g/mol

名称と識別子

優先名称: tert-butyl N-methyl-N-(3-(methylamino)propyl)carbamate
IUPAC: tert-butyl N-methyl-N-[3-(methylamino)propyl]carbamate
英語名: tert-butyl methyl(3-(methylamino)propyl)carbamate
分子式: C10H22N2O2
分子量: 202.29

名称と別名

123183-72-2tert-butyl N-methyl-N-[3-(methylamino)propyl]carbamatetert-butyl N-methyl-N-(3-(methylamino)propyl)carbamateRefChem:896437821-984-5tert-butyl methyl(3-(methylamino)propyl)carbamateMFCD141558323-(N-Boc-N-methylamino)-1-(methylamino)propaneN-Boc-N1,N3-dimethylpropane-1,3-diaminetert-butyl methyl[3-(methylamino)propyl]carbamateSCHEMBL380584orb3176926

名称をさらに表示

Methyl-(3-methylamino-propyl)-carbamic acid tert-butyl esterN-methyl-N-[3-(methylamino)propyl]aminomacetic acidtertbutyl esterCarbamic acid, methyl[3-(methylamino)propyl]-, 1,1-dimethylethyl ester

QRXUKURKZNOVAF-UHFFFAOYSA-NYEA18372AKOS017560456Carbamic acid, N-methyl-N-[3-(methylamino)propyl]-, 1,1-dimethylethyl estermono Boc-N,N'-dimethyl propanediamineBS-52401DA-47003SY011857

データベース識別子

CAS: 123183-72-2
PubChem CID: 17868293
EC Number: 821-984-5

物性

構造計算による物性

XLogP: 1
極性表面積: 41.6 Å²
水素結合供与体数: 1
水素結合受容体数: 3
回転可能結合数: 6
重原子数: 14
形式電荷: 0
複雑度: 175

物理化学的性質

沸点: 265.5 · 265.5±19.0 °C(Predicted)
比重(密度): 0.948 · 0.948±0.06 g/cm3(Predicted)
貯蔵温度: 2 · 2-8°C, protect from light
酸解離定数(Pka): 10.46 · 10.46±0.10(Predicted)

安全と法規制

GHS分類

GHS Classification · 4 件

Danger

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.