1-(3-amino-1H-pyrazol-1-yl)-2-methylpropan-2-ol

HCID 59344938CAS 1003013-47-5

기본 정보

표준 SMILES: CC(C)(O)Cn1ccc(N)n1
InChIKey: QTMFWQYTTCWLLT-UHFFFAOYSA-N
분자식: C7H13N3O
평균 분자량: 155.2 g/mol

이름 및 식별자

우선 이름: 1-(3-amino-1H-pyrazol-1-yl)-2-methylpropan-2-ol
IUPAC: 1-(3-aminopyrazol-1-yl)-2-methylpropan-2-ol

이름 및 동의어

1003013-47-51-(3-amino-1H-pyrazol-1-yl)-2-methylpropan-2-olRefChem:423246103-687-6MFCD206948641-(3-Amino-1-pyrazolyl)-2-methyl-2-propanol1-(3-aminopyrazol-1-yl)-2-methyl-propan-2-ol3-Amino-alpha,alpha-dimethyl-1H-pyrazole-1-ethanol1-(3-aminopyrazol-1-yl)-2-methylpropan-2-olSCHEMBL223674TQP1404QTMFWQYTTCWLLT-UHFFFAOYSA-N

이름 더 보기

DQB01347AC9585SY2527583-Amino-,-dimethyl-1H-pyrazole-1-ethanolDB-110859CS-0105969EN300-7836043-Amino-|A,|A-dimethyl-1H-pyrazole-1-ethanol

데이터베이스 식별자

CAS: 1003013-47-5
PubChem CID: 59344938
EC Number: 103-687-6

물성

구조 계산 물성

XLogP: -0.2
극성 표면적: 64.1 Å²
수소 결합 공여자 수: 2
수소 결합 수용자 수: 3
회전 가능 결합 수: 2
무거운 원자 수: 11
형식 전하: 0
복잡도: 138

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

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, 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.