AG0036ED

857267-04-0 | 1-Isopropyl-1H-pyrazol-3-amine

AG0036ED

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CAS Number	857267-04-0
Catalog Number	AG0036ED(AGN-PC-02GBI3)
Chemical Name	1-Isopropyl-1H-pyrazol-3-amine
IUPAC Name	1-propan-2-ylpyrazol-3-amine
InChI	InChI=1S/C6H11N3/c1-5(2)9-4-3-6(7)8-9/h3-5H,1-2H3,(H2,7,8)
InChI Key	MECWXEINLHIGIW-UHFFFAOYSA-N
MDL Number	MFCD06805167
Molecular Formula	C6H11N3
Molecular Weight	125.1716
SMILES	C(C)(C)N1N=C(C=C1)N
Synonyms	857267-04-0, 1-(propan-2-yl)-1H-pyrazol-3-amine, 1-isopropyl-1H-pyrazol-3-amine, 1-ISOPROPYL-1H-PYRAZOL-3-YLAMINE, 1-isopropylpyrazol-3-amine, 1-(1-methylethyl)-1H-pyrazol-3-amine, 1H-Pyrazol-3-amine, 1-(1-methylethyl)-, 1-(methylethyl)pyrazole-3-ylamine, 3-amino-1-isopropylpyrazole, 1-propan-2-ylpyrazol-3-amine, SCHEMBL1427041, CHEMBL3219113, CTK3C8357, DTXSID40598875, MECWXEINLHIGIW-UHFFFAOYSA-N, 0847AF, BBL104331, MFCD06805167, SBB022906, STK350100, ZINC11920277, AKOS000302128, MCULE-3713111896, KS-0000087M, AS-52937, TR-056653, AM20110230, BB 0258461, CS-0052807, FT-0678781, ST45123371, 90353-EP2301929A1, 90353-EP2301935A1, 90353-EP2305674A1, I05-1090, F2169-0249, Z1966398467, C6H11N3,

Complexity	92.3
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	125.095g/mol
Formal Charge	0
Heavy Atom Count	9
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	125.175g/mol
Monoisotopic Mass	125.095g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	43.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.6

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H319
Packing Group
Precautionary statements	P305+P351+P338
UN Code

Certificate of Analysis

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