AG007KC2

297730-25-7 | (S)-1-(3-Nitrophenyl)-1-aminoethane

AG007KC2

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CAS Number	297730-25-7
Catalog Number	AG007KC2(AGN-PC-0R57RQ)
Chemical Name	(S)-1-(3-Nitrophenyl)-1-aminoethane
IUPAC Name	(1S)-1-(3-nitrophenyl)ethanamine
InChI	InChI=1S/C8H10N2O2/c1-6(9)7-3-2-4-8(5-7)10(11)12/h2-6H,9H2,1H3/t6-/m0/s1
InChI Key	AVIBPONLEKDCPQ-LURJTMIESA-N
MDL Number	MFCD06659477
Molecular Formula	C8H10N2O2
Molecular Weight	166.1772
SMILES	C[C@H](N)C1=CC=CC([N+]([O-])=O)=C1
Synonyms	297730-25-7, (S)-1-(3-Nitrophenyl)ethylamine, (s)-1-(3-nitrophenyl)ethanamine, (1S)-1-(3-nitrophenyl)ethan-1-amine, (S)-1-(3-NITROPHENYL)-1-AMINOETHANE, Benzenemethanamine, a-methyl-3-nitro-, (aS)-, (S)-3-nitrophenethylamine hcl, (1S)-1-(3-nitrophenyl)ethanamine, (1S)-1-(3-nitrophenyl)ethanamine Hydrochloride, PubChem5637, SCHEMBL3474257, CTK4G3790, AVIBPONLEKDCPQ-LURJTMIESA-N, (s)-1-(3-nitrophenyl) ethylamine, KS-00000S3C, ZINC2541527, MFCD06659477, AKOS017358053, AJ-39190, DS-12134, DB-025183, FT-0658428, 1-(3-Nitrophenyl)ethanamine, (S)-1-(3-nitrophenyl)ethan-1-amine, ACN-054961, CID11292459,

Complexity	167
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Exact Mass	166.074g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	166.18g/mol
Monoisotopic Mass	166.074g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	71.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.3

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

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