기본 정보
- CAS
91331-68-9- 표준 SMILES
Cc1cc(N)n(-c2ccccc2C)n1- InChIKey
KZPZKAVOPDSURE-UHFFFAOYSA-N- 분자식
- C11H13N3
- 평균 분자량
- 187.24 g/mol
- 단동위원소 질량
- 187.11094742
이름 및 식별자
- 우선 이름
- 3-Methyl-1-(2-methylphenyl)-1H-pyrazol-5-amine
- IUPAC
- 5-methyl-2-(2-methylphenyl)pyrazol-3-amine
- 영어명
- 3-METHYL-1-(2-METHYLPHENYL)-1H-PYRAZOL-&
- 분자식
- C11H13N3
- 분자량
- 187.24
이름 및 동의어
3-Methyl-1-(2-methylphenyl)-1H-pyrazol-5-amine91331-68-95-methyl-2-(2-methylphenyl)pyrazol-3-amine3-Methyl-1-(o-tolyl)-1H-pyrazol-5-amineMFCD016057123-Methyl-1-o-tolyl-1H-pyrazol-5-amineMLS001004508SCHEMBL1143383CHEMBL1381572SCHEMBL10949906DTXSID80354533KZPZKAVOPDSURE-UHFFFAOYSA-N
이름 더 보기
3-METHYL-1-(2-METHYLPHENYL)-1H-PYRAZOL-&[5-Methyl-2-(2-Methylphenyl)Pyrazol-3-Yl]Amine1H-Pyrazol-5-amine, 3-methyl-1-(2-methylphenyl)-3-methyl-1-(2-methylphenyl)-1h-pyrazol-5-ylamineJR-13897, 3-Methyl-1-o-tolyl-1H-pyrazol-5-amine, 98%3-methyl-1-(2-methylphenyl)-1H-pyrazol-5-amine(SALTDATA: FREE)3-Methyl-1-(2-methylphenyl)-1H-pyrazol-5-ylamine, 5-Methyl-2-o-tolyl-2H-pyrazol-3-ylamine
HMS2670P11STK0081065-methyl-2-(o-tolyl)pyrazol-3-amineAKOS000200484SMR000348074CS-0220604EU-0003881EN300-07036
데이터베이스 식별자
- CAS
91331-68-9- PubChem CID
- 775688
- DTXSID
DTXSID80354533- ChEMBL
CHEMBL1381572- EC Number
- 623-089-3
- Nikkaji
- J2.868.244A
물성
구조 계산 물성
- XLogP
- 2.3
- 극성 표면적
- 43.8 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 2
- 회전 가능 결합 수
- 1
- 무거운 원자 수
- 14
- 형식 전하
- 0
- 복잡도
- 195
실험 및 물리화학적 성질
Solubility26.3 [ug/mL] (The mean of the results at pH 7.4)
물리화학적 성질
- 녹는점
- 85 · 85-89 °C (lit.)
- 물리적 상태
- solid
- InChI
- 1S/C11H13N3/c1-8-5-3-4-6-10(8)14-11(12)7-9(2)13-14/h3-7H,12H2,1-2H3
- InChIKey
- KZPZKAVOPDSURE-UHFFFAOYSA-N
- SMILES
- Cc1cc(N)n(n1)-c2ccccc2C
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, 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)
Aggregated GHS information provided per 40 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
유해성 정보
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
안전 데이터
- wgk
- 3
- risk_code
- 36/37/38
- hazard_code
- Xi
- safety_code
- 26-36/39
- Hazard Classifications
- Eye Irrit. 2Skin Irrit. 2STOT SE 3
- 스토리지 클래스
- 11 - Combustible Solids
화학 및 산업
공급사13 곳
Aladdin Scientific[email protected]
上海瀚鸿科技股份有限公司021-54306202 13764082696 · [email protected]
Sigma-Aldrich西格玛奥德里奇(上海)贸易有限公司021-61415566 800-8193336 · [email protected]
上海阿拉丁生化科技股份有限公司6206333 13167063860 · [email protected]
上海药禾平生物医药科技有限公司57540919 13120888836 · [email protected]
常州探索化学有限公司15295164949 · [email protected]
常州探索化学有限公司+8615295164949 · [email protected]
重庆卡兰医药有限公司[email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
烟台盛凯伦化学科技有限公司开发区第一分公司13356901049 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
武汉万鉴生物科技有限公司13277087647 · [email protected]
宝鸡缔都医药化工有限公司029-029-81148929 17792602132 · [email protected]
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