1-(TERT-부틸)-3-메틸-1H-피라졸-5-일라민

1-tert-Butyl-3-methyl-1H-pyrazol-5-amine

HCID 737200CAS 141459-53-2

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: Cc1cc(N)n(C(C)(C)C)n1
InChIKey: CMPRMWFPGYBHTQ-UHFFFAOYSA-N
분자식: C8H15N3
평균 분자량: 153.22 g/mol
단동위원소 질량: 153.12659748

이름 및 식별자

우선 이름: 1-tert-Butyl-3-methyl-1H-pyrazol-5-amine
IUPAC: 2-tert-butyl-5-methylpyrazol-3-amine
현지명: 1-(TERT-부틸)-3-메틸-1H-피라졸-5-일라민
영어명: 1-(tert-Butyl)-3-methyl-1H-pyrazol-5-ylamine
분자식: C8H15N3
분자량: 153.22

이름 및 동의어

141459-53-21-tert-butyl-3-methyl-1H-pyrazol-5-amineDTXSID10353195RefChem:235401DTXCID60304258673-593-21-(tert-butyl)-3-methyl-1H-pyrazol-5-amine1-(tert-butyl)-3-methyl-1h-pyrazol-5-ylamine2-tert-butyl-5-methylpyrazol-3-amineMFCD001227315-Amino-1-(tert-butyl)-3-methyl-1H-pyrazole1-(1,1-dimethylethyl)-3-methyl-1H-pyrazol-5-amine

이름 더 보기

1-(TERT-부틸)-3-메틸-1H-피라졸-5-일라민108403BUTTPARK 30\03-895-AMINO-1-tert-BUTYL-3-METHYLPYRAZOLE1-tert-butyl-3-methyl pyrazol-5-ylamine5-AMino-1-tert-butyl-3-Methyl-1H-pyrazole5-Methyl-2-tert-butyl-2H-pyrazol-3-ylamine2-TERT-BUTYL-5-METHYL-2H-PYRAZOL-3-YLAMINE

1-(tert-butyl)-3-methylpyrazole-5-ylamine5-amino-1-t-butyl-3-methylpyrazole1H-Pyrazol-5-amine, 1-(1,1-dimethylethyl)-3-methyl-5-amino-3-methyl-1-tert-butylpyrazoleEnamine_002453ChemDiv2_003007SCHEMBL399615CMPRMWFPGYBHTQ-UHFFFAOYSA-N

데이터베이스 식별자

CAS: 141459-53-2
PubChem CID: 737200
DTXSID: DTXSID10353195
EC Number: 673-593-2

물성

구조 계산 물성

XLogP: 1.2
극성 표면적: 43.8 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 2
회전 가능 결합 수: 1
무거운 원자 수: 11
형식 전하: 0
복잡도: 139

물리화학적 성질

녹는점: 65 · 65-67°C
끓는 점: 259.7 · 259.7±20.0 °C(Predicted)
밀도: 1.04 · 1.04±0.1 g/cm3(Predicted)
저장 조건: 2 · Storage temp. 2-8°C
산도 계수 (pKa): 4.7 · 4.70±0.10(Predicted)
물리적 상태: solid
InChI: 1S/C8H15N3/c1-6-5-7(9)11(10-6)8(2,3)4/h5H,9H2,1-4H3
InChIKey: CMPRMWFPGYBHTQ-UHFFFAOYSA-N
SMILES: Cc1cc(N)n(n1)C(C)(C)C

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H228 (25%): Flammable solid [Danger Flammable solids]

P210, P240, P241, 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, P370+P378, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 4 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Hazard Classes and CategoriesFlam. Sol. 2 (25%)

안전 데이터

wgk: WGK 3
HS 번호: 2933199090
risk_code: 36/37/38-25
hazard_code: T
safety_code: 26-36/37/39-45
위험 등급: IRRITANT
Hazard Classifications: Acute Tox. 3 Oral
스토리지 클래스: 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects