3-아미노-1,5-디메틸피라졸

1,5-dimethyl-1H-pyrazol-3-amine

HCID 7017747CAS 35100-92-6

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: Cc1cc(N)nn1C
InChIKey: YGRLFMMSIGPOOI-UHFFFAOYSA-N
분자식: C5H9N3
평균 분자량: 111.15 g/mol
단동위원소 질량: 111.07964729

이름 및 식별자

우선 이름: 1,5-dimethyl-1H-pyrazol-3-amine
IUPAC: 1,5-dimethylpyrazol-3-amine
현지명: 3-아미노-1,5-디메틸피라졸
영어명: 3-Amino-1,5-dimethylpyrazole
분자식: C5H9N3
분자량: 111.15

이름 및 동의어

1,5-dimethyl-1H-pyrazol-3-amine35100-92-6DTXSID60426904RefChem:221314DTXCID90377738812-613-81,5-Dimethyl-1H-pyrazol-3-ylamine1,5-dimethylpyrazol-3-amine3-AMINO-1,5-DIMETHYLPYRAZOLEMFCD049700411H-Pyrazol-3-amine, 1,5-dimethyl-SCHEMBL174459

이름 더 보기

3-아미노-1,5-디메틸피라졸1,5-dimethyl-3-pyrazolamine(1,5-dimethylpyrazol-3-yl)amine3-Amino-1,5-dimethyl-1H-pyrazole1,5-Dimethyl-1H-Pyrazol-3-Ylamine(WX609107)

1,5-dimethylpyrazole-3-ylamine1,5-Dimethyl-1H-pyrazole-3-ylamine3-amino-1,5-dimethyl pyra3-amino-1,5-dimethyl pyrazoleYGRLFMMSIGPOOI-UHFFFAOYSA-NALBB-0125341,5-dimethyl-3-amino-1H-pyrazoleSBB009548

데이터베이스 식별자

CAS: 35100-92-6
PubChem CID: 7017747
DTXSID: DTXSID60426904
EC Number: 812-613-8

물성

구조 계산 물성

XLogP: 0.3
극성 표면적: 43.8 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 2
회전 가능 결합 수: 0
무거운 원자 수: 8
형식 전하: 0
복잡도: 83.7

물리화학적 성질

녹는점: 65 · 65-68 ºC
끓는 점: 235 · 235 ºC
밀도: 1.17 · 1.17
인화점: 96 · 96 ºC
저장 조건: 2 · 2-8°C(protect from light)
물리적 상태: 고체
산도 계수 (pKa): 4.17 · 4.17±0.11(Predicted)
색상: 노란색
InChI: InChI=1S/C5H9N3/c1-4-3-5(6)7-8(4)2/h3H,1-2H3,(H2,6,7)
InChIKey: YGRLFMMSIGPOOI-UHFFFAOYSA-N
SMILES: N1(C)C(C)=CC(N)=N1

화학적 성질

Yellow solid

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P317, 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 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.