5-아미노-1-메틸-3-페닐피라졸

1-Methyl-3-phenyl-1H-pyrazol-5-amine

HCID 517779CAS 10199-50-5

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: Cn1nc(-c2ccccc2)cc1N
InChIKey: KCYRMURRLLYLPU-UHFFFAOYSA-N
분자식: C10H11N3
평균 분자량: 173.21 g/mol
단동위원소 질량: 173.09529735

개요

1-methyl-3-phenyl-1H-pyrazol-5-amine is a member of pyrazoles and a ring assembly.

이름 및 식별자

우선 이름: 1-Methyl-3-phenyl-1H-pyrazol-5-amine
IUPAC: 1-methyl-3-phenylpyrazol-5-amine
현지명: 5-아미노-1-메틸-3-페닐피라졸
영어명: 5-AMINO-1-METHYL-3-PHENYLPYRAZOLE
분자식: C10H11N3
분자량: 173.21

이름 및 동의어

1-Methyl-3-phenyl-1H-pyrazol-5-amine10199-50-5DTXSID30333717RefChem:434243DTXCID40284807673-124-1InChI=1/C10H11N3/c1-13-10(11)7-9(12-13)8-5-3-2-4-6-8/h2-7H,11H2,1H5-Amino-1-methyl-3-phenylpyrazole2-methyl-5-phenylpyrazol-3-amine1H-Pyrazol-5-amine, 1-methyl-3-phenyl-MFCD000678742-Methyl-5-Phenyl-Pyrazol-3-Amine

이름 더 보기

5-아미노-1-메틸-3-페닐피라졸BUTTPARK 30\09-85TIMTEC-BB SBB0055072-methyl-5-phenyl-3-pyrazolamine5-Amino-1-menthyl-3-phenylpyrazole

CHEMBL40840291-methyl-3-phenyl-5-pyrazolamine2-methyl-5-phenyl-2h-pyrazol-3-ylamine1-methyl-3-phenylpyrazole-5-ylamine5-amino-1-methyl-3-phenyl-1h-pyrazoleVITAS-BB TBB000664(2-Methyl-5-phenyl-2H-pyrazol-3-yl)amine; 1-Methyl-3-phenyl-5-aminopyrazole; 2-Methyl-5-phenylpyrazol-3-amine; 3-Amino-2-methyl-5-phenyl-2H-pyrazole; 3-Phenyl-1-methyl-1H-pyrazol-5-amine; 5-Amino-1-methyl-3-phenylpyrazoleMaybridge1_004465

데이터베이스 식별자

CAS: 10199-50-5
PubChem CID: 517779
DTXSID: DTXSID30333717
ChEMBL: CHEMBL4084029
ChEBI: CHEBI:183500
EC Number: 673-124-1
Nikkaji: J764.555D

물성

구조 계산 물성

XLogP: 1.5
극성 표면적: 43.8 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 2
회전 가능 결합 수: 1
무거운 원자 수: 13
형식 전하: 0
복잡도: 166

물리화학적 성질

녹는점: 125 · 125-128°C
끓는 점: 368.1 · 368.1±30.0 °C(Predicted)
밀도: 1.17 · 1.17±0.1 g/cm3(Predicted)
저장 조건: Refrigerator
용해도: 클로로포름(약간 용해됨), DMSO(약간 용해됨), 메탄올(약간 용해됨)
산도 계수 (pKa): 3 · 3+-.0.10(Predicted)
물리적 상태: 고체
색상: 회백색
BRN: 743807 · 743807

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H302 (90.9%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, 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 44 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.