AG0032I2

583837-94-9 | [4-(Ethanesulphonyl)phenyl]methanamine

AG0032I2

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CAS Number	583837-94-9
Catalog Number	AG0032I2(AGN-PC-01NCAK)
Chemical Name	[4-(Ethanesulphonyl)phenyl]methanamine
IUPAC Name	(4-ethylsulfonylphenyl)methanamine
InChI	InChI=1S/C9H13NO2S/c1-2-13(11,12)9-5-3-8(7-10)4-6-9/h3-6H,2,7,10H2,1H3
InChI Key	SLAFBMBRXKFTDS-UHFFFAOYSA-N
MDL Number	MFCD10032480
Molecular Formula	C9H13NO2S
Molecular Weight	199.2700
SMILES	NCc1ccc(cc1)S(=O)(=O)CC
Synonyms	583837-94-9, [4-(ethanesulfonyl)phenyl]methanamine, (4-(ethylsulfonyl)phenyl)methanamine, [4-(Ethanesulphonyl)phenyl]methanamine, 4-Ethanesulfonyl-benzylamine, Benzenemethanamine, 4-(ethylsulfonyl)-, 4-ethanesulfonylbenzylamine, SCHEMBL506696, (4-ethylsulfonylphenyl)methanamine, SLAFBMBRXKFTDS-UHFFFAOYSA-N, KS-000002JK, MFCD10032480, ZINC20263247, AKOS006302447, MCULE-2252677664, NE62038, BS-13874, CS-0054352, A1-04737, Z1601554890, 2-BROMO-1-(3,5-DICHLOROPYRIDIN-2-YL)ETHANONE, 87437-41-0,

Complexity	235
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	199.067g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	199.268g/mol
Monoisotopic Mass	199.067g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	68.5A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.4

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

Lot Number