AG007SJP

184097-88-9 | Benzenamine, 3-​(1H-​pyrazol-​1-​yl)​-

AG007SJP

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CAS Number	184097-88-9
Catalog Number	AG007SJP(AGN-PC-03E671)
Chemical Name	Benzenamine, 3-​(1H-​pyrazol-​1-​yl)​-
IUPAC Name	3-pyrazol-1-ylaniline
InChI	InChI=1S/C9H9N3/c10-8-3-1-4-9(7-8)12-6-2-5-11-12/h1-7H,10H2
InChI Key	GDTZRPGWZFOSSY-UHFFFAOYSA-N
MDL Number	MFCD08059554
Molecular Formula	C9H9N3
Molecular Weight	159.1879
SMILES	Nc1cc(ccc1)n1cccn1
Synonyms	3-(1H-pyrazol-1-yl)aniline, 184097-88-9, 3-(1-Pyrazolyl)aniline, 3-(1H-Pyrazol-1-yl)phenylamine, 3-Pyrazol-1-yl-phenylamine, 3-Pyrazol-1-ylaniline, 3-pyrazolylphenylamine, 3-(pyrazol-1-yl)aniline, SCHEMBL521666, AC1Q51G8, CTK4D8663, GDTZRPGWZFOSSY-UHFFFAOYSA-, 1-(3-Aminophenyl)-1H-pyrazole, DTXSID70616692, GDTZRPGWZFOSSY-UHFFFAOYSA-N, 6183AD, MFCD08059554, ZINC13479954, AKOS000303225, MCULE-1498019053, PS-5472, RTR-055806, KS-000009Y5, AJ-63894, SC-96019, SY028685, TR-055806, BB 0219911, ST50532556, EN300-39779, MFCD08059554 (97%), Y-3309, J-011796, Z1245633295, InChI=1/C9H9N3/c10-8-3-1-4-9(7-8)12-6-2-5-11-12/h1-7H,10H2, C9H9N3, 3-(1H-pyrazol-1-yl)benzenamine,

Complexity	149
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	159.08g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	159.192g/mol
Monoisotopic Mass	159.08g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	43.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.5

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P280-P301+P312-P302+P352-P305+P351+P338
UN Code

Certificate of Analysis

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