AG00I4U2

253168-94-4 | Benzenemethanamine, 3-ethoxy-4-methoxy-a-[(methylsulfonyl)methyl]-

AG00I4U2

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CAS Number	253168-94-4
Catalog Number	AG00I4U2(AGN-PC-0R14O9)
Chemical Name	Benzenemethanamine, 3-ethoxy-4-methoxy-a-[(methylsulfonyl)methyl]-
IUPAC Name	1-(3-ethoxy-4-methoxyphenyl)-2-methylsulfonylethanamine
InChI	InChI=1S/C12H19NO4S/c1-4-17-12-7-9(5-6-11(12)16-2)10(13)8-18(3,14)15/h5-7,10H,4,8,13H2,1-3H3
InChI Key	BXUJVINGXQGNFD-UHFFFAOYSA-N
MDL Number	MFCD27665207
Molecular Formula	C12H19NO4S
Molecular Weight	273.3486
SMILES	O=S(CC(N)C1=CC=C(OC)C(OCC)=C1)(C)=O
Synonyms	253168-94-4, 1-(3-ethoxy-4-methoxyphenyl)-2-(methylsulfonyl)ethanamine, 3-Ethoxy-4-Methoxy-alpha-[(Methylsulfonyl)Methyl]-benzeneMethanaMine, 2-(3-ethoxy-4-methoxyphenyl)-1-(methylsulfonyl)eth-2-ylamine, 1-(3-Ethoxy-4-methoxy-phenyl)-2-methanesulfonyl-ethylamine, 1-(3-ethoxy-4-methoxyphenyl)-2-(methylsulfonyl)ethan-1-amine, 1-(3-ethoxy-4-methoxyphenyl)-2-methanesulfonylethan-1-amine, Benzenemethanamine, 3-ethoxy-4-methoxy-a-[(methylsulfonyl)methyl]-, C12H19NO4S, AK137359, ApreMilast interMediate, Apremilast Intermediate I, (R)-1-(3-ethoxy-4-methoxyphenyl)-2-(methylsulfonyl)ethanamine, SCHEMBL302947, BXUJVINGXQGNFD-UHFFFAOYSA-N, BCP10011, CS-M2886, 3017AH, MFCD27665207, AKOS024255715, AS07034, FK-0724, AC-30407, AK318668, SY113286, FT-0737867, MFCD22677268 (97%), 1-(3-ethoxy-4-methoxyphenyl)-methylsulfonylethylamine, 1-(3-ethoxy-4-methoxyphenyl)-2-methylsulfonylethylamine, 1-(3-ethoxy-4-methoxyphenyl) -2-methylsulfonylethylamine, 2-(3-ethoxy-4-methoxyphenyl)-1-(methanesulfonyl)-eth-2-ylamine, 2-(3-ethoxy-4-methoxyphenyl)-1-(methylsulphonyl)-eth-2-ylamine, ACN-036786, CID11288792, (S)-1-(3-Ethoxy-4-methoxyphenyl)-2-(methylsulfonyl)ethanamine, 608141-42-0, 1-(3-ethoxy-4-methoxy-phenyl)-2-methylsulfonyl-ethanamine, (1S)-1-(3-ethoxy-4-methoxyphenyl)-2-methylsulfonylethanamine, 608142-27-4,

Complexity	339
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	273.103g/mol
Formal Charge	0
Heavy Atom Count	18
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	273.347g/mol
Monoisotopic Mass	273.103g/mol
Rotatable Bond Count	6
Topological Polar Surface Area	87A^2
Undefined Atom Stereocenter Count	1
Undefined Bond Stereocenter Count	0
XLogP3	0.5

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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