4-Amino-1,3-dimethylpyrazole Hydrochloride - CAS 1147222-02-3

Catalog:	BB003420
Product Name:	4-Amino-1,3-dimethylpyrazole Hydrochloride
CAS:	1147222-02-3
Synonyms:	1,3-dimethyl-4-pyrazolamine;hydrochloride; 1,3-dimethylpyrazol-4-amine;hydrochloride

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Computed Properties

IUPAC Name:	1,3-dimethylpyrazol-4-amine;hydrochloride
Description:	4-Amino-1,3-dimethylpyrazole Hydrochloride (CAS# 1147222-02-3) is a useful research chemical.
Molecular Weight:	147.61
Molecular Formula:	C5H10ClN3
Canonical SMILES:	CC1=NN(C=C1N)C.Cl
InChI:	InChI=1S/C5H9N3.ClH/c1-4-5(6)3-8(2)7-4;/h3H,6H2,1-2H3;1H
InChI Key:	ZDOGXPGAEYKUJK-UHFFFAOYSA-N
Storage:	Sealed in dry, Room Temperature
MDL:	MFCD02253769
LogP:	1.69390

Publication Number	Title	Priority Date
AU-2016284402-A1	Brk inhibitory compound	20150622
AU-2016284402-B2	Brk inhibitory compound	20150622
CA-2990145-A1	Brk inhibitory compound	20150622
EP-3312182-A1	Brk inhibitory compound	20150622
JP-WO2016208595-A1	Brk inhibitor compound	20150622

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GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	83.7
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	2
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	147.0563250
Formal Charge:	0
Heavy Atom Count:	9
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	147.0563250
Rotatable Bond Count:	0
Topological Polar Surface Area:	43.8 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0