AG001UFT

1638487-42-9 | Benzonitrile, 5-(aminomethyl)-2-fluoro-, hydrochloride (1:1)

AG001UFT

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CAS Number	1638487-42-9
Catalog Number	AG001UFT(AGN-PC-0WANER)
Chemical Name	Benzonitrile, 5-(aminomethyl)-2-fluoro-, hydrochloride (1:1)
IUPAC Name	5-(aminomethyl)-2-fluorobenzonitrile;hydrochloride
InChI	InChI=1S/C8H7FN2.ClH/c9-8-2-1-6(4-10)3-7(8)5-11;/h1-3H,4,10H2;1H
InChI Key	PHWQUARYBMWLOU-UHFFFAOYSA-N
MDL Number	MFCD28125524
Molecular Formula	C8H8ClFN2
Molecular Weight	186.6139
SMILES	N#CC1=CC(CN)=CC=C1F.Cl
Synonyms	5-(Aminomethyl)-2-fluorobenzonitrile hydrochloride, 1638487-42-9, 3-CYANO-4-FLUOROBENZYLAMINE HCL, AK159115, KS-00000SHW, MFCD28125524, AKOS024462827, 3-Cyano-4-fluorobenzylamine hydrochloride, AS-46382, ST24044208, Benzonitrile, 5-(aminomethyl)-2-fluoro-, hydrochloride (1:1), 368426-86-2,

Complexity	172
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	2
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	186.036g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	186.614g/mol
Monoisotopic Mass	186.036g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	49.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H332-H335
Packing Group
Precautionary statements	P280-P305+P351+P338-P310
Signal Words	warning
UN Code

Certificate of Analysis

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