2-アミノ-4-メチルピリミジン

2-Amino-4-methylpyrimidine

HCID 7939CAS 108-52-1

部分構造検索類似構造を探す

基本情報

標準SMILES: Cc1ccnc(N)n1
InChIKey: GHCFWKFREBNSPC-UHFFFAOYSA-N
分子式: C5H7N3
平均分子量: 109.13 g/mol
単同位体質量: 109.06399722

概要

2-Amino-4-methylpyrimidine is an aminopyrimidine.

名称と識別子

優先名称: 2-Amino-4-methylpyrimidine
IUPAC: 4-methylpyrimidin-2-amine
現地名: 2-アミノ-4-メチルピリミジン
英語名: 2-Amino-4-methylpyrimidine
分子式: C5H7N3
分子量: 109.13

名称と別名

2-AMINO-4-METHYLPYRIMIDINE108-52-12-Pyrimidinamine, 4-methyl-6-Methyl-2-pyrimidinamine4-Methylpyrimidin-2-ylamineZEQ6ZS0OOCNSC 1939EINECS 203-591-5BRN 0108506AI3-08091NSC-19395-25-10-00160 (Beilstein Handbook Reference)

名称をさらに表示

2-アミノ-4-メチルピリミジン4-メチルピリミジン-2-アミン2‐アミノ‐4‐メチルピリミジン2-アミノ-4-メチルピリミジン, 98%TIMTEC-BB SBB004343AMINO-4-METHYLPYRIMIDINE2-amino-4-methyl-pyrimidin2-AMINO-4-METHYL-1,3-DIAZINE

RefChem:4643472-Pyrimidinamine, 4-methyl-(9CI)InChI=1/C5H7N3/c1-4-2-3-7-5(6)8-4/h2-3H,1H3,(H2,6,7,84-methylpyrimidin-2-amine4-Methyl-2-pyrimidinaminePyrimidine, 2-amino-4-methyl-MFCD000061012-AMINO-4-METHYL-PYRIMIDINE

データベース識別子

CAS: 108-52-1
PubChem CID: 7939
DTXSID: DTXSID90148349
ChEBI: CHEBI:170014
UNII: ZEQ6ZS0OOC
EC Number: 203-591-5
Nikkaji: J79.446E

物性

構造計算による物性

XLogP: 0.3
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: 8
形式電荷: 0
複雑度: 74.1

実験および物理化学的性質

SpringerMaterials PropertiesDiamagnetic susceptibility

物理化学的性質

融点: 158 · 158-160 °C(lit.)
沸点: 194.6 °C · 194.6°C (rough estimate)
比重(密度): 1 g/cm3 · 1 g/cm3
屈折率: 1.534 · 1.5340 (estimate)
貯蔵温度: Keep in dark place,Inert atmosphere,Room temperature
溶解性: DMSO（微量）、メタノール（微量）
外見: 結晶性粉末
酸解離定数(Pka): 1 · pK1: 4.11(+1) (20°C)
色: オフホワイトからライトブラウン
BRN: 108506 · 108506
CAS データベース: 108 · 108-52-1(CAS DataBase Reference)
NISTの化学物質情報: 2 · 2-Amino-4-methylpyrimidine(108-52-1)

化学的性質

化学的特性OFF-WHITE TO LIGHT BROWN CRYSTALLINE POWDER

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 47 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

危険有害性情報

Regulatory Information2-Pyrimidinamine, 4-methyl-: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

安全データ

wgk: 3
rtecs: UV6485000
hs_code: 29335990
risk_code: 36/37/38
hazard_code: Xi
hazard_note: Irritant
safety_code: 26-36

化学と産業

応用分野

用途有機合成原料。

調製方法

純化方法Crystallise the pyrimidine from H2O or EtOH and sublime it in a vacuum. The picrate crystallises from EtOH and has m 235-236o(dec). [Beilstein 24 H 84, 25 III/IV 2152.]