6-chloro-N-methylpyrimidin-4-amine

HCID 309479CAS 65766-32-7

기본 정보

표준 SMILES: CNc1cc(Cl)ncn1
InChIKey: WZVLJUBTIWFTIE-UHFFFAOYSA-N
분자식: C5H6ClN3
평균 분자량: 143.57 g/mol
단동위원소 질량: 143.02502487

이름 및 식별자

우선 이름: 6-chloro-N-methylpyrimidin-4-amine
IUPAC: 6-chloro-N-methylpyrimidin-4-amine
영어명: 6-chloro-Nmethylpyrimidin-4-amine
분자식: C5H6ClN3
분자량: 143.57

이름 및 동의어

6-Chloro-N-methylpyrimidin-4-amineDTXSID60309324RefChem:541901DTXCID50260450664-319-265766-32-74-CHLORO-6-METHYLAMINOPYRIMIDINE4-Chloro-6-(methylamino)pyrimidine6-chloro-nmethylpyrimidin-4-amine6-Chloro-N-methyl-4-pyrimidinamineMFCD09702146SCHEMBL21191977

이름 더 보기

EOS-609264-Pyrimidinamine, 6-chloro-N-methyl- (9CI)6-chloro-Nmethylpyrimidin-4-amine ISO 9001：2015 REACH

DS-0492(6-chloro-pyrimidin-4-yl)-methyl-amineAC-24260SY0290194-Pyrimidinamine, 6-chloro-N-methyl-6-chloro-n-methylpyrimidine-4-amine6-Chloro-N-methyl-pyrimidin-4-amineNSC211762

데이터베이스 식별자

CAS: 65766-32-7
PubChem CID: 309479
DTXSID: DTXSID60309324
EC Number: 664-319-2
Nikkaji: J1.398.681I

물성

구조 계산 물성

XLogP: 1.5
극성 표면적: 37.8 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 3
회전 가능 결합 수: 1
무거운 원자 수: 9
형식 전하: 0
복잡도: 88.3

물리화학적 성질

녹는점: 138 · 138-142°C
끓는 점: 279.7 · 279.7±20.0 °C(Predicted)
밀도: 1.338 · 1.338±0.06 g/cm3(Predicted)
저장 조건: 2 · 2-8°C
산도 계수 (pKa): 2.5 · 2.50±0.10(Predicted)
물리적 상태: solid
InChI: InChI=1S/C5H6ClN3/c1-7-5-2-4(6)8-3-9-5/h2-3H,1H3,(H,7,8,9)
InChIKey: WZVLJUBTIWFTIE-UHFFFAOYSA-N
SMILES: C1=NC(Cl)=CC(NC)=N1

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

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

P261, P264, P264+P265, P270, P271, P272, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P333+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 41 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Hazard Classes and CategoriesAcute Tox. 4 (100%)

안전 데이터

wgk: 3
HS 번호: 2933599590
risk_code: 22-36/37/38-43
hazard_code: Xn
safety_code: 26-36/37/39
위험 등급: IRRITANT
Hazard Classifications: Acute Tox. 4 OralEye Irrit. 2Skin Irrit. 2Skin Sens. 1STOT SE 3
스토리지 클래스: 11 - Combustible Solids