2-Aminopyrimidine

HCID 7978CAS 109-12-6

部分構造検索類似構造を探す

基本情報

標準SMILES: Nc1ncccn1
InChIKey: LJXQPZWIHJMPQQ-UHFFFAOYSA-N
分子式: C4H5N3
平均分子量: 95.1 g/mol
単同位体質量: 95.04834716

概要

Pyrimidin-2-amine is an aminopyrimidine carrying an amino group at position 2.

名称と識別子

優先名称: 2-Aminopyrimidine
IUPAC: pyrimidin-2-amine
英語名: Aminopyrimidine
分子式: C4H5N3
分子量: 95.1

名称と別名

2-AMINOPYRIMIDINEpyrimidin-2-amine109-12-62-PyrimidinaminePyrimidin-2-ylamineOB8I17P2G4DTXSID70870459NSC-1912CHEBI:38618RefChem:465209DTXCID40818181203-648-4

名称をさらに表示

AminopyrimidinePyrimidinamine2-PyrimidiylaminePyrimidine, 2-amino-2-amino-pyrimidine1,2-Dihydro-2-iminopyrimidine2-aminopirimidinaSulfadiazine EP Impurity A

データベース識別子

CAS: 109-12-6、27043-39-6
PubChem CID: 7978
DTXSID: DTXSID70870459
ChEMBL: CHEMBL88580
ChEBI: CHEBI:38618
UNII: OB8I17P2G4
EC Number: 203-648-4
Nikkaji: J2.875D

物性

構造計算による物性

XLogP: -0.2
極性表面積: 51.8 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: 0
重原子数: 7
形式電荷: 0
複雑度: 48.9

実験および物理化学的性質

Chemical ClassesNitrogen Compounds -> Pyrimidines

SpringerMaterials Properties15N nuclear magnetic resonance spectrum

LogP-0.22

Vapor Pressure0.24 [mmHg]

Physical DescriptionWhite crystalline powder; [Alfa Aesar MSDS]

物理化学的性質

EPAの化学物質情報: Pyrimidinamine (27043-39-6)

安全と法規制

GHS分類

GHS Classification · 4 件

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, 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 190 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.