2-Amino-4-methylpyrimidine

HCID 7939CAS 108-52-1

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: Cc1ccnc(N)n1
InChIKey: GHCFWKFREBNSPC-UHFFFAOYSA-N
분자식: C5H7N3
평균 분자량: 109.13 g/mol
단동위원소 질량: 109.06399722

개요

2-Amino-4-methylpyrimidine is an aminopyrimidine.

이름 및 식별자

우선 이름: 2-Amino-4-methylpyrimidine
IUPAC: 4-methylpyrimidin-2-amine
영어명: 2-Amino-4-methylpyrimidine
분자식: C5H7N3
분자량: 109.13

이름 및 동의어

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)

이름 더 보기

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

데이터베이스 식별자

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

물성

구조 계산 물성

XLogP: 0.3
극성 표면적: 51.8 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 3
회전 가능 결합 수: 0
무거운 원자 수: 8
형식 전하: 0
복잡도: 74.1

실험 및 물리화학적 성질

SpringerMaterials PropertiesDiamagnetic susceptibility

물리화학적 성질

녹는점: 158 · 158-160 °C(lit.)
끓는 점: 194.6 °C · 194.6°C (rough estimate)
밀도: 1 g/cm3 · 1 g/cm3
굴절률: 1.534 · 1.5340 (estimate)
저장 조건: Keep in dark place,Inert atmosphere,Room temperature
용해도: DMSO(약간 용해됨), 메탄올(약간 용해됨)
물리적 상태: 결정성 분말
산도 계수 (pKa): 1 · pK1: 4.11(+1) (20°C)
색상: 황백색부터 연한 갈색까지
BRN: 108506 · 108506
NIST: 2 · 2-Amino-4-methylpyrimidine(108-52-1)

화학적 성질

OFF-WHITE TO LIGHT BROWN CRYSTALLINE POWDER

안전 및 규제

GHS 분류

GHS Classification · 4건

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.

유해성 정보

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%)