1-(3-ethoxy-4-methoxyphenyl)-2-methanesulfonylethanamine

1-(3-ethoxy-4-methoxyphenyl)-2-methanesulfonylethanamine

CAS: 253168-94-4

Formula: C12H19NO4S

SMILES: CCOC1=CC(=CC=C1OC)C(N)CS(C)(=O)=O

IUPAC: 1-(3-ethoxy-4-methoxyphenyl)-2-methanesulfonylethan-1-amine

InChI: InChI=1/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

Composition: C (52.73%), H (7.01%), N (5.12%), O (23.41%), S (11.73%)

Molar Mass: 273.35

Atom Count: 37

Heavy Atom Count: 18

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	1
Exact Mass	273.10347927
Formal Charge	0
FSP3	0.5
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	1
InChIKey	BXUJVINGXQGNFD-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	69.94
Topological Polar Surface Area	78.62
Polarizability	28.45
Ring Count	1
Rotatable Bond Count	6

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Purity	LeadTime	CAS	PacketSize	UnitPrice
99.71%	<7 Days	253168-94-4		$47.69-$150.54$47.69$150.54