5-tert-부틸-2-p-톨릴-2H-피라졸-3-일아민

3-tert-butyl-1-(4-methylphenyl)-1H-pyrazol-5-amine

HCID 2974132

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 285984-25-0
표준 SMILES: Cc1ccc(-n2nc(C(C)(C)C)cc2N)cc1
InChIKey: ITHNHEWXIBNEDG-UHFFFAOYSA-N
분자식: C14H19N3
평균 분자량: 229.32 g/mol
단동위원소 질량: 229.15789761

이름 및 식별자

우선 이름: 3-tert-butyl-1-(4-methylphenyl)-1H-pyrazol-5-amine
IUPAC: 3-tert-butyl-1-(4-methylphenyl)pyrazol-5-amine
현지명: 5-tert-부틸-2-p-톨릴-2H-피라졸-3-일아민
영어명: 5-tert-Butyl-2-p-tolyl-2H-pyrazol-3-ylamine
분자식: C14H19N3
분자량: 229.32

이름 및 동의어

285984-25-03-tert-butyl-1-(4-methylphenyl)-1H-pyrazol-5-amineDTXSID70388044RefChem:282651DTXCID20339066827-657-35-tert-Butyl-2-p-tolyl-2H-pyrazol-3-ylamine3-(tert-Butyl)-1-(p-tolyl)-1H-pyrazol-5-amine3-tert-butyl-1-p-tolyl-1H-pyrazol-5-amine5-tert-butyl-2-(4-methylphenyl)pyrazol-3-amineMFCD041150901H-PYRAZOL-5-AMINE, 3-(1,1-DIMETHYLETHYL)-1-(4-METHYLPHENYL)-

이름 더 보기

5-tert-부틸-2-p-톨릴-2H-피라졸-3-일아민ZINC02527276BUTTPARK 74\09-045-t-butyl-2-p-tolyl-2H-pyrazol-3-ylamine3-tert-Butyl-1-p-tolyl-1H-pyrazol-5-ylamine3-TERT-BUTYL-1-(P-TOLYL)-1H-PYRAZOLE-5-AMINE5-tert-butyl-2-(4-methylphenyl)-3-pyrazolamine

5-Amino-3-t-butyl-1-p-tolyl-pyrazole3-(1,1-DIMETHYLETHYL)-1-(4-METHYLPHENYL)-1H-PYRAZOL-5-AMINESR-010002948335-tert-butyl-2-(p-tolyl)pyrazol-3-amineSCHEMBL366727ITHNHEWXIBNEDG-UHFFFAOYSA-NALBB-014966STK234818

데이터베이스 식별자

CAS: 285984-25-0
PubChem CID: 2974132
DTXSID: DTXSID70388044
EC Number: 827-657-3
Nikkaji: J1.886.239E

물성

구조 계산 물성

XLogP: 3.6
극성 표면적: 43.8 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 2
회전 가능 결합 수: 2
무거운 원자 수: 17
형식 전하: 0
복잡도: 251

물리화학적 성질

끓는 점: 368.3 · 368.3±37.0 °C(Predicted)
밀도: 1.06 · 1.06±0.1 g/cm3(Predicted)
저장 조건: Keep in dark place,Inert atmosphere,Room temperature
물리적 상태: solid
산도 계수 (pKa): 4.17 · 4.17±0.10(Predicted)
InChI: InChI=1S/C14H19N3/c1-10-5-7-11(8-6-10)17-13(15)9-12(16-17)14(2,3)4/h5-9H,15H2,1-4H3
InChIKey: ITHNHEWXIBNEDG-UHFFFAOYSA-N
SMILES: N1(C2=CC=C(C)C=C2)C(N)=CC(C(C)(C)C)=N1

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H303 (100%): May be harmful if swallowed [Warning Acute toxicity, oral]

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

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.