CAS 369638-69-7 tert-Butyl (5-(bromomethyl)pyrazin-2-yl)carbamate (HCID 45073740)

基本情報

CAS: 369638-69-7
標準SMILES: CC(C)(C)OC(=O)Nc1cnc(CBr)cn1
InChIKey: FPWNVMNGKNLYSC-UHFFFAOYSA-N
分子式: C10H14BrN3O2
平均分子量: 288.14 g/mol
単同位体質量: 287.02693879

名称と識別子

優先名称: tert-Butyl (5-(bromomethyl)pyrazin-2-yl)carbamate
IUPAC: tert-butyl N-[5-(bromomethyl)pyrazin-2-yl]carbamate
英語名: (5-Bromomethyl-pyrazin-2-yl)-carbamic acid tert-butyl ester
分子式: C10H14BrN3O2
分子量: 288.14

名称と別名

369638-69-7tert-Butyl (5-(bromomethyl)pyrazin-2-yl)carbamatetert-butyl N-[5-(bromomethyl)pyrazin-2-yl]carbamatetert-butyl 5-(bromomethyl)pyrazin-2-ylcarbamateMFCD10574803(5-BROMOMETHYL-PYRAZIN-2-YL)-CARBAMIC ACID TERT-BUTYL ESTERCarbamic acid, N-[5-(bromomethyl)-2-pyrazinyl]-, 1,1-dimethylethyl ester2-(Boc-amino)-5-(bromomethyl)pyrazinetert-butyl(5-(bromomethyl)pyrazin-2-yl)carbamatetert-Butyl [5-(bromomethyl)pyrazin-2-yl]carbamate(5-BROMOMETHYLPYRAZIN-2-YL)CARBAMIC ACID TERT-BUTYL ESTERSCHEMBL611654

名称をさらに表示

5-（bormomethyl）pyrazin-2-ylcarbamate

SCHEMBL29934934DTXSID90662833FPWNVMNGKNLYSC-UHFFFAOYSA-N5-bormomethylpyrazin-2-ylcarbamateAKOS015841465AB56408AS-47095SY240756

データベース識別子

CAS: 369638-69-7
PubChem CID: 45073740
DTXSID: DTXSID90662833
EC Number: 154-478-1

物性

構造計算による物性

XLogP: 1.3
極性表面積: 64.1 Å²
水素結合供与体数: 1
水素結合受容体数: 4
回転可能結合数: 4
重原子数: 16
形式電荷: 0
複雑度: 243

物理化学的性質

沸点: 324.4 · 324.4±42.0 °C(Predicted)
比重(密度): 1.482 · 1.482±0.06 g/cm3(Predicted)
貯蔵温度: 2 · Storage temp. 2-8°C
酸解離定数(Pka): 11.26 · 11.26±0.70(Predicted)

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.