tert-butyl N-(4-(chloromethyl)pyridin-2-yl)carbamate

HCID 21068467CAS 672324-82-2

基本情報

標準SMILES: CC(C)(C)OC(=O)Nc1cc(CCl)ccn1
InChIKey: HMQFDFGFYVYALU-UHFFFAOYSA-N
分子式: C11H15ClN2O2
平均分子量: 242.7 g/mol
単同位体質量: 242.0822054

名称と識別子

優先名称: tert-butyl N-(4-(chloromethyl)pyridin-2-yl)carbamate
IUPAC: tert-butyl N-[4-(chloromethyl)-2-pyridinyl]carbamate
英語名: tert-Butyl (4-(chloroMethyl)pyridin-2-yl)carbaMate
分子式: C11H15ClN2O2
分子量: 242.702

名称と別名

tert-butyl N-[4-(chloromethyl)pyridin-2-yl]carbamatetert-butyl N-(4-(chloromethyl)pyridin-2-yl)carbamateRefChem:896064870-025-7672324-82-2tert-Butyl (4-(chloromethyl)pyridin-2-yl)carbamateMFCD13188961tert-butyl(4-(chloromethyl)pyridin-2-yl)carbamatetert-butyl [4-(chloromethyl)pyridin-2-yl]carbamateSCHEMBL12953977DTXSID10610432HMQFDFGFYVYALU-UHFFFAOYSA-N

名称をさらに表示

XBB32482AB67460N-Boc-4-(chloromethyl)pyridin-2-amine2-(Boc-amino)-4-(chloromethyl)pyridineSY205223DB-361581EN300-251330F94649

データベース識別子

CAS: 672324-82-2
PubChem CID: 21068467
DTXSID: DTXSID10610432
EC Number: 870-025-7

物性

構造計算による物性

XLogP: 2.1
極性表面積: 51.2 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: 4
重原子数: 16
形式電荷: 0
複雑度: 241

物理化学的性質

貯蔵温度: 2 · 2-8°C

安全と法規制

GHS分類

GHS Classification · 4 件

Danger

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

P260, P261, P264, P270, P271, P280, P301+P317, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P319, P321, P330, P363, 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.