5-아미노-3-tert-부틸-1-메틸피라졸

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

HCID 2735287

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 118430-73-2
표준 SMILES: Cn1nc(C(C)(C)C)cc1N
InChIKey: XSCDSAMVQLKDNI-UHFFFAOYSA-N
분자식: C8H15N3
평균 분자량: 153.22 g/mol
단동위원소 질량: 153.12659748

이름 및 식별자

우선 이름: 3-tert-Butyl-1-methyl-1H-pyrazol-5-amine
IUPAC: 3-tert-butyl-1-methylpyrazol-5-amine
현지명: 5-아미노-3-tert-부틸-1-메틸피라졸
영어명: 5-Amino-3-tert-butyl-1-methylpyrazole
분자식: C8H15N3
분자량: 153.22

이름 및 동의어

118430-73-23-tert-Butyl-1-methyl-1H-pyrazol-5-amineDTXSID40370658RefChem:505347DTXCID10321692674-885-25-amino-3-tert-butyl-1-methylpyrazole3-(tert-butyl)-1-methyl-1h-pyrazol-5-amine5-tert-butyl-2-methylpyrazol-3-amineMFCD000680025-tert-butyl-2-methyl-2h-pyrazol-3-ylamine3-(tert-butyl)-1-methylpyrazole-5-ylamine

이름 더 보기

5-아미노-3-tert-부틸-1-메틸피라졸108405BUTTPARK 30\09-765-Amino-3-t-butyl-1-methylpyrazole5-AMINO-3-TETR-BUTYL-1-METHYLPYRAZOLE5-Amino-3-tert-butyl-1-methylpyrazole,97%5-amino-3-tert-butyl-1-methylpyrazole 97%5-Amino-3-(tert-butyl)-1-methyl-1H-pyrazole

1H-Pyrazol-5-amine, 3-(1,1-dimethylethyl)-1-methyl-5-tert-butyl-2-methyl-pyrazol-3-amineMaybridge4_002215SCHEMBL432964orb3030284CHEMBL1643348XSCDSAMVQLKDNI-UHFFFAOYSA-NHMS1527E15

데이터베이스 식별자

CAS: 118430-73-2
PubChem CID: 2735287
DTXSID: DTXSID40370658
ChEMBL: CHEMBL1643348
EC Number: 674-885-2
Nikkaji: J1.393.808C

물성

구조 계산 물성

XLogP: 1.6
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: 86 °C · 86 °C
끓는 점: 266.7 · 266.7±28.0 °C(Predicted)
밀도: 1.04 · 1.04±0.1 g/cm3(Predicted)
저장 조건: Keep in dark place,Inert atmosphere,Room temperature
산도 계수 (pKa): 4.69 · 4.69±0.10(Predicted)

안전 및 규제

GHS 분류

GHS Classification · 4건

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 6 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.