AG0000VT

1000896-40-1 | 1H-Pyrazol-3-amine, 5-(phenylmethoxy)-

AG0000VT

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CAS Number	1000896-40-1
Catalog Number	AG0000VT(AGN-PC-0WAGQ5)
Chemical Name	1H-Pyrazol-3-amine, 5-(phenylmethoxy)-
IUPAC Name	3-phenylmethoxy-1H-pyrazol-5-amine
InChI	InChI=1S/C10H11N3O/c11-9-6-10(13-12-9)14-7-8-4-2-1-3-5-8/h1-6H,7H2,(H3,11,12,13)
InChI Key	DPMPAHAAODHNKV-UHFFFAOYSA-N
MDL Number	MFCD18205693
Molecular Formula	C10H11N3O
Molecular Weight	189.2138
SMILES	NC1=NNC(OCC2=CC=CC=C2)=C1
Synonyms	5-(benzyloxy)-1H-pyrazol-3-amine, 1000896-40-1, 3-phenylmethoxy-1H-pyrazol-5-amine, AK118788, 5-phenylmethoxy-2h-pyrazol-3-amine, SCHEMBL3937691, KS-00000QZR, DTXSID70569836, QC-92, 3-(Benzyloxy)-1H-pyrazol-5-amine, MFCD18205693, ZINC72319673, AKOS016000437, ACN-001441, DS-5401, FCH1152122, 1H-Pyrazol-3-amine, 5-(phenylmethoxy)-, AX8244204, FT-0686196, X5092, C10H11N3O,

Complexity	171
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	189.09g/mol
Formal Charge	0
Heavy Atom Count	14
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	189.218g/mol
Monoisotopic Mass	189.09g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	63.9A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.7

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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