AG00CL0S

410545-65-2 | (2-(METHYLSULFONYL)PHENYL)METHANAMINE

AG00CL0S

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CAS Number	410545-65-2
Catalog Number	AG00CL0S(AGN-PC-00UQZZ)
Chemical Name	(2-(METHYLSULFONYL)PHENYL)METHANAMINE
IUPAC Name	(2-methylsulfonylphenyl)methanamine
InChI	InChI=1S/C8H11NO2S/c1-12(10,11)8-5-3-2-4-7(8)6-9/h2-5H,6,9H2,1H3
InChI Key	NKOMETMTMXTMLP-UHFFFAOYSA-N
MDL Number	MFCD08234913
Molecular Formula	C8H11NO2S
Molecular Weight	185.2434
SMILES	NCC1=CC=CC=C1S(=O)(C)=O
Synonyms	2-(METHYLSULFONYL)BENZYLAMINE, 410545-65-2, (2-(METHYLSULFONYL)PHENYL)METHANAMINE, Benzenemethanamine, 2-(methylsulfonyl)-, (2-METHANESULFONYLPHENYL)METHANAMINE, 2-Methylsulfonylbenzylamine, 2-methanesulfonyl-benzylamine, SCHEMBL1146006, CTK1D4082, DTXSID50584885, NKOMETMTMXTMLP-UHFFFAOYSA-N, KS-000009FH, MFCD08234913, ZINC42684206, AKOS006238358, AB43695, TRA0001563, 1-[2-(methylsulfonyl)phenyl]methanamine, 1-[2-(Methanesulfonyl)phenyl]methanamine, AS-31274, SC-27356, SY003362, AJ-104456, TC-306883, V5835, K-8715, MFCD08234913 (95+%), I01-10477, (2- METHANAMINE, C8H11NO2S, 58932-30-2,

Complexity	230
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	185.051g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	185.241g/mol
Monoisotopic Mass	185.051g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	68.5A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0

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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