3-tert-Butyl-1-(2-methylphenyl)-1H-pyrazol-5-amine

HCID 770643CAS 337533-96-7

기본 정보

표준 SMILES: Cc1ccccc1-n1nc(C(C)(C)C)cc1N
InChIKey: SNMGAKOWUHTEKD-UHFFFAOYSA-N
분자식: C14H19N3
평균 분자량: 229.32 g/mol
단동위원소 질량: 229.15789762

이름 및 식별자

우선 이름: 3-tert-Butyl-1-(2-methylphenyl)-1H-pyrazol-5-amine
IUPAC: 3-tert-butyl-1-(2-methylphenyl)pyrazol-5-amine
영어명: 3-TERT-BUTYL-1-(2-METHYLPHENYL)-1H-PYRAZOL-5-AMINE
분자식: C14H19N3
분자량: 229.32

이름 및 동의어

337533-96-73-tert-butyl-1-(2-methylphenyl)-1H-pyrazol-5-amineDTXSID60354374RefChem:505341DTXCID30305434102-621-33-(tert-Butyl)-1-(o-tolyl)-1H-pyrazol-5-amine5-tert-butyl-2-o-tolyl-2H-pyrazol-3-ylamine3-Amino-5-tert-butyl-2-o-tolyl-2H-pyrazole5-tert-butyl-2-(2-methylphenyl)pyrazol-3-amineMFCD041150823-tert-butyl-1-o-tolyl-1h-pyrazol-5-amine

이름 더 보기

5-Amino-3-(tert-butyl)-1-(o-tolyl)pyrazole5-tert-butyl-2-(2-methylphenyl)-3-pyrazolamine3-(tert-Butyl)-1-(2-methylphenyl)-1H-pyrazol-5-ylamineJR-13691, 3-Tert-butyl-1-o-tolyl-1H-pyrazol-5-amine, 95%3-(1,1-Dimethylethyl)-1-(2-methylphenyl)-1H-pyrazol-5-amine

SCHEMBL1013289SNMGAKOWUHTEKD-UHFFFAOYSA-NAKOS009113429SB36686AS-30185SY1742965-tert-butyl-2-(o-tolyl)pyrazol-3-amineDB-068880

데이터베이스 식별자

CAS: 337533-96-7
PubChem CID: 770643
DTXSID: DTXSID60354374
EC Number: 102-621-3
Nikkaji: J1.687.690I

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: 259

물리화학적 성질

끓는 점: 377.5 · 377.5±30.0 °C(Predicted)
밀도: 1.06 · 1.06±0.1 g/cm3(Predicted)
저장 조건: 2 · 2-8°C(protect from light)
물리적 상태: solid
산도 계수 (pKa): 4.05 · 4.05±0.10(Predicted)
InChI: 1S/C14H19N3/c1-10-7-5-6-8-11(10)17-13(15)9-12(16-17)14(2,3)4/h5-9H,15H2,1-4H3
InChIKey: SNMGAKOWUHTEKD-UHFFFAOYSA-N
SMILES: Cc1ccccc1-n2nc(cc2N)C(C)(C)C