AG003I92

771573-22-9 | 3-(Methylsulfonyl)benzylamine

AG003I92

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CAS Number	771573-22-9
Catalog Number	AG003I92(AGN-PC-0KKOAE)
Chemical Name	3-(Methylsulfonyl)benzylamine
IUPAC Name	(3-methylsulfonylphenyl)methanamine
InChI	InChI=1S/C8H11NO2S/c1-12(10,11)8-4-2-3-7(5-8)6-9/h2-5H,6,9H2,1H3
InChI Key	DQFOSYRXEOWKOY-UHFFFAOYSA-N
MDL Number	MFCD12024691
Molecular Formula	C8H11NO2S
Molecular Weight	185.2434
SMILES	NCC1=CC=CC(S(=O)(C)=O)=C1
Synonyms	3-(methylsulfonyl)benzylamine, 771573-22-9, (3-(METHYLSULFONYL)PHENYL)METHANAMINE, (3-methylsulfonylphenyl)methanamine, Benzenemethanamine, 3-(methylsulfonyl)-, (3-methanesulfonylphenyl)methanamine, 3-(methylsulfonyl)Benzenemethanamine, AC1MC3SW, 3-methylsulfonyl benzylamine, SCHEMBL1127911, CTK2G6808, DQFOSYRXEOWKOY-UHFFFAOYSA-N, ZINC1494941, 3-(Methylsulfonyl)phenyl]methanamine, 3-METHANESULFONYL-BENZYLAMINE, ANW-69512, MFCD06213658, AKOS006229292, (3-(methylsulfonyl)phenyl)-methanamine, AB23434, FS-1729, TRA0057075, AJ-26361, SC-50480, SY003359, DB-018037, TC-158257, FT-0731499, V7705, MFCD06213658 (97%), Z-3354, 1-[3-(METHYLSULFONYL)PHENYL]METHANAMINE, C8H11NO2S, CID2760937, 387350-81-4, 855267-50-4,

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	-0.5

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	6.1
Hazard statements	H301
Packing Group	Ⅲ
Precautionary statements	P301+P310
UN Code	UN 2811

Certificate of Analysis

Lot Number