AG008TOI

1038393-47-3 | (R)-1-(4-(Methylsulfonyl)phenyl)ethanamine

AG008TOI

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CAS Number	1038393-47-3
Catalog Number	AG008TOI(AGN-PC-0WAKPL)
Chemical Name	(R)-1-(4-(Methylsulfonyl)phenyl)ethanamine
IUPAC Name	(1R)-1-(4-methylsulfonylphenyl)ethanamine
InChI	InChI=1S/C9H13NO2S/c1-7(10)8-3-5-9(6-4-8)13(2,11)12/h3-7H,10H2,1-2H3/t7-/m1/s1
InChI Key	XJAMLZUKCSRXAF-SSDOTTSWSA-N
MDL Number	MFCD06761967
Molecular Formula	C9H13NO2S
Molecular Weight	199.2700
SMILES	C[C@H](C1=CC=C(S(C)(=O)=O)C=C1)N
Synonyms	(R)-1-(4-(Methylsulfonyl)phenyl)ethanamine, 1038393-47-3, (1R)-1-[4-(methylsulfonyl)phenyl]ethanamine, (1R)-1-(4-methylsulfonylphenyl)ethanamine, AC1OC20Y, SCHEMBL14211437, CTK5J1742, DTXSID00426125, ZINC154311, AC1Q2995, CS-D0007, ANW-66859, MFCD06761967, MCULE-4819563041, AJ-13192, AS-38630, TC-155604, EN300-87917, (1R)-1-(4-methanesulfonylphenyl)ethan-1-amine, S01-0814, Benzenemethanamine, .alpha.-methyl-4-(methylsulfonyl)-, (.alpha.R)-, Peakdale1_000804, CID6931009,

Complexity	247
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	1
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	2
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	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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