1-[(2S)-2-hydroxy-2-(3-methoxyphenyl)cyclohexyl]-N,N-dimethylmethanamine oxide

1-[(2S)-2-hydroxy-2-(3-methoxyphenyl)cyclohexyl]-N,N-dimethylmethanamine oxide

CAS: 147441-56-3

Formula: C16H25NO3

SMILES: COC1=CC=CC(=C1)[C@]1(O)CCCCC1C[N+](C)(C)[O-]

IUPAC: 1-[(2S)-2-hydroxy-2-(3-methoxyphenyl)cyclohexyl]-N,N-dimethylmethanamine oxide

InChI: InChI=1S/C16H25NO3/c1-17(2,19)12-14-7-4-5-10-16(14,18)13-8-6-9-15(11-13)20-3/h6,8-9,11,14,18H,4-5,7,10,12H2,1-3H3/t14?,16-/m1/s1

Composition: C (68.79%), H (9.02%), N (5.01%), O (17.18%)

Molar Mass: 279.38

Atom Count: 45

Heavy Atom Count: 20

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	2
Exact Mass	279.183443669
Formal Charge	0
FSP3	0.62
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	HBXKSXMNNGHBEA-BZSJEYESSA-N
Lipinski's Rule of Five	1
Molar Refractivity	80.31
Topological Polar Surface Area	52.52
Polarizability	30.96
Ring Count	2
Rotatable Bond Count	4

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Purity	LeadTime	CAS	PacketSize	UnitPrice
97%	<14 Days	147441-56-3		$118.32-$924.12$118.32$924.12