3-아미노-4,5-디하이드로-1-페닐피라졸

3-Amino-1-phenylpyrazole

HCID 98736CAS 3314-35-0

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: NC1=NN(c2ccccc2)CC1
InChIKey: QENUTIJJGGTTPE-UHFFFAOYSA-N
분자식: C9H11N3
평균 분자량: 161.2 g/mol
단동위원소 질량: 161.09529735

이름 및 식별자

우선 이름: 3-Amino-1-phenylpyrazole
IUPAC: 2-phenyl-3,4-dihydropyrazol-5-amine
현지명: 3-아미노-4,5-디하이드로-1-페닐피라졸
영어명: 3-AMINO-4,5-DIHYDRO-1-PHENYLPYRAZOLE
분자식: C9H11N3
분자량: 161.2

이름 및 동의어

2-Pyrazoline, 3-amino-1-phenyl-3-Amino-1-phenyl-2-pyrazoline3-Amino-1-phenylpyrazole3-AMINO-4,5-DIHYDRO-1-PHENYLPYRAZOLE4,5-Dihydro-1-phenyl-1H-pyrazol-3-amine1-phenyl-3-amino-2-pyrazoline3-amino-1-phenylpyrazolineKL73ZZ44EZNSC-162874DTXSID00186792RefChem:92852DTXCID40109283

이름 더 보기

3-아미노-4,5-디하이드로-1-페닐피라졸AKOS BOR-BB-010AKOS BBS-00006530TIMTEC-BB SBB009983WLN: T5NN BUTJ AR& CZ3-amino-1-fenyl-2-pyrazolin3-amino-1-phenyl-2-pyrazolin1-Phenyl-2-pyrazolin-3-amine

QENUTIJJGGTTPE-UHFFFAOYSA-N3314-35-01-phenyl-4,5-dihydro-1H-pyrazol-3-amine2-phenyl-3,4-dihydropyrazol-5-amine1-Phenyl-4,5-dihydro-1H-pyrazol-3-ylaminePyrazolidine, 3-imino-1-phenyl-1-Fenyl-3-aminopyrazolinMFCD00051730

데이터베이스 식별자

CAS: 3314-35-0
PubChem CID: 98736
DTXSID: DTXSID00186792
UNII: KL73ZZ44EZ
EC Number: 222-005-9
Nikkaji: J37.336B

물성

구조 계산 물성

XLogP: 0.9
극성 표면적: 41.6 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 2
회전 가능 결합 수: 1
무거운 원자 수: 12
형식 전하: 0
복잡도: 182

물리화학적 성질

녹는점: 168 · 168-170°C
끓는 점: 277.51 °C · 277.51°C (rough estimate)
밀도: 1.1462 · 1.1462 (rough estimate)
굴절률: 1.533 · 1.5330 (estimate)
저장 조건: 2 · 2-8°C, protect from light
산도 계수 (pKa): 3.58 · 3.58±0.70(Predicted)
물리적 상태: solid
BRN: 139162 · 139162
InChI: 1S/C9H11N3/c10-9-6-7-12(11-9)8-4-2-1-3-5-8/h1-5H,6-7H2,(H2,10,11)
InChIKey: QENUTIJJGGTTPE-UHFFFAOYSA-N
SMILES: NC1=NN(CC1)c2ccccc2

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H302 (90.7%): Harmful if swallowed [Warning Acute toxicity, oral]

P264, P264+P265, P270, P280, P301+P317, P305+P351+P338, P330, P337+P317, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 43 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.