5-메틸-피라진-2-일라민

5-Methylpyrazin-2-amine

HCID 313215

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 5521-58-4
표준 SMILES: Cc1cnc(N)cn1
InChIKey: ZNQOALAKPLGUPH-UHFFFAOYSA-N
분자식: C5H7N3
평균 분자량: 109.13 g/mol
단동위원소 질량: 109.06399722

이름 및 식별자

우선 이름: 5-Methylpyrazin-2-amine
IUPAC: 5-methylpyrazin-2-amine
현지명: 5-메틸-피라진-2-일라민
영어명: 5-Methyl-pyrazin-2-ylamine
분자식: C5H7N3
분자량: 109.13

이름 및 동의어

5-methylpyrazin-2-amine5521-58-45-methyl-2-pyrazinamineDTXSID20310395RefChem:537310DTXCID30261521640-651-32-amino-5-methylpyrazine5-Methyl-pyrazin-2-ylamineMFCD08437664Pyrazinamine, 5-methyl-5-Methylpyrazin-2-ylamine

이름 더 보기

5-메틸-피라진-2-일라민5-methyl-2-aminopyrazineEOS-613735-METHYL-PYRAZIN-2-Y2-PyrazinaMine, 5-Methyl-5-Methyl pyrazine-2-aMine2-AMINO-5-METHYL PYRAZINE5-Methyl pyrazine-2-ylamine

5-methyl-2-amino pyrazine2-Amino-5-methyl-pyrazineCS-D0791HY-65255EN300-112462A1-24365Z11981774292-amino-5 methylpyrazine

데이터베이스 식별자

CAS: 5521-58-4
PubChem CID: 313215
DTXSID: DTXSID20310395
ChEMBL: CHEMBL3219114
EC Number: 640-651-3
Nikkaji: J1.641.265A

물성

구조 계산 물성

XLogP: -0.2
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

물리화학적 성질

녹는점: 116 · 116-117 °C
끓는 점: 110 °C · 110 °C(Press: 2 Torr)
밀도: 1.155 · 1.155±0.06 g/cm3(Predicted)
저장 조건: Keep in dark place,Sealed in dry,Room Temperature
산도 계수 (pKa): 3.5 · 3.50±0.10(Predicted)
물리적 상태: 고체
색상: White to Light yellow to Light orange
InChI: InChI=1S/C5H7N3/c1-4-2-8-5(6)3-7-4/h2-3H,1H3,(H2,6,8)
InChIKey: ZNQOALAKPLGUPH-UHFFFAOYSA-N
SMILES: C1(N)=NC=C(C)N=C1

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]

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

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