CAS 1003013-47-5 1-(3-amino-1H-pyrazol-1-yl)-2-methylpropan-2-ol (HCID 59344938)

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Basic information

CAS: 1003013-47-5
Standard SMILES: CC(C)(O)Cn1ccc(N)n1
InChIKey: QTMFWQYTTCWLLT-UHFFFAOYSA-N
Molecular formula: C7H13N3O
Average molar mass: 155.2 g/mol

Names & identifiers

Preferred name: 1-(3-amino-1H-pyrazol-1-yl)-2-methylpropan-2-ol
IUPAC: 1-(3-aminopyrazol-1-yl)-2-methylpropan-2-ol

Names & synonyms

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

Show more names

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

Database identifiers

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

Properties

Computed structural properties

XLogP: -0.2
Topological polar surface area: 64.1 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 3
Rotatable bonds: 2
Heavy atoms: 11
Formal charge: 0
Complexity: 138

Safety & regulation

GHS classification

GHS Classification · 4 items

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.