5-Bromo-4-methylpyrimidin-2-amine

HCID 18616196

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 17321-93-6
표준 SMILES: Cc1nc(N)ncc1Br
InChIKey: LPQVTZJEIXYDQA-UHFFFAOYSA-N
분자식: C5H6BrN3
평균 분자량: 188.03 g/mol
단동위원소 질량: 186.97450929

이름 및 식별자

우선 이름: 5-Bromo-4-methylpyrimidin-2-amine
IUPAC: 5-bromo-4-methylpyrimidin-2-amine
영어명: 2-Amino-4-methyl-5-bromopyrimidine
분자식: C5H6BrN3
분자량: 188.03

이름 및 동의어

17321-93-65-bromo-4-methylpyrimidin-2-amineDTXSID80595146RefChem:301913DTXCID80545909686-929-82-Amino-5-bromo-4-methylpyrimidine2-AMINO-4-METHYL-5-BROMOPYRIMIDINE5-Bromo-4-methyl-pyrimidin-2-ylamine2-Pyrimidinamine, 5-bromo-4-methyl-5-Bromo-4-methylpyrimidin-2-ylamineMFCD00094469

이름 더 보기

1007045-Bromo-4-methyl-2-pyrimidinamine2-PyriMidinaMine,5-broMo-4-Methyl-5-Bromo-4-methyl-2-aminopyrimidine5-Bromo-2-amino-4-methylpyrimidine2-AMino-5-broMo-4-MethylpyriMidine 97%

5-bromo-4-methylpyrimidine-2-ylamineSCHEMBL11141465-bromo-4-methyl-2-pyrimidinylamine5-bromo-4-methylpyrimidine-2-ylamin5-bromo-4 methyl-pyrimidin-2-ylamineAKOS006283938SY021489Z1198150524

데이터베이스 식별자

CAS: 17321-93-6
PubChem CID: 18616196
DTXSID: DTXSID80595146
EC Number: 686-929-8

물성

구조 계산 물성

XLogP: 0.9
극성 표면적: 51.8 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 3
회전 가능 결합 수: 0
무거운 원자 수: 9
형식 전하: 0
복잡도: 98.2

물리화학적 성질

녹는점: 192 · 192-194℃
끓는 점: 345.4 · 345.4±34.0 °C(Predicted)
밀도: 1.699 · 1.699±0.06 g/cm3(Predicted)
저장 조건: Keep in dark place,Sealed in dry,Room Temperature
물리적 상태: solid
산도 계수 (pKa): 2.47 · 2.47±0.10(Predicted)
InChI: InChI=1S/C5H6BrN3/c1-3-4(6)2-8-5(7)9-3/h2H,1H3,(H2,7,8,9)
InChIKey: LPQVTZJEIXYDQA-UHFFFAOYSA-N
SMILES: C1(N)=NC=C(Br)C(C)=N1

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

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

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 40 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.