(1S,2S) - (+) -N-Methylpseudoephedrine

CAT: 0926-FM175545-01Size: 100 mgDry Ice: NoHazardous: No

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CAT#:0926-FM175545-01Size:100 mg

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CAS Number

51018-28-1

Smiles

C[C@@H] ([C@H] (C1=CC=CC=C1) O) N (C) C

Molecular Formula

C11H17NO

Molecular Weight

179.26 g/mol

Controlled

Yes

Chemical Information

(1S,2S)-(+)-N-Methylpseudoephedrine

(+)-N-methylpseudoephedrine is a member of amphetamines.

CAS Number	51018-28-1
PubChem CID	7059596
IUPAC Name	(1S,2S)-2-(dimethylamino)-1-phenylpropan-1-ol
Molecular Formula	C11H17NO
Molecular Weight	179.26
XLogP	1.7
Topological Polar Surface Area	23.5
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	3
Heavy Atom Count	13
Formal Charge	0
Complexity	141

SMILES

C[C@@H]([C@H](C1=CC=CC=C1)O)N(C)C

InChI

InChI=1S/C11H17NO/c1-9(12(2)3)11(13)10-7-5-4-6-8-10/h4-9,11,13H,1-3H3/t9-,11+/m0/s1

InChIKey

FMCGSUUBYTWNDP-GXSJLCMTSA-N

Chemical Structure

2D Structure

CAS: 51018-28-1

CID: 7059596

Formula: C11H17NO

MW: 179.26

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	179.26
XLogP3	1.7
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	3
Exact Mass	179.131014166
Monoisotopic Mass	179.131014166
Topological Polar Surface Area	23.5 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	141
Isotope Atom Count	0
Defined Atom Stereocenter Count	2
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
FD32585-01	1S,2S- (+) -Diaminocyclohexane
FD37451-01	N, N'-Dimethyl- (1S,2S) -1,2-Cyclohexanediamine
UND35387-01	Benzyl N-[ (1S,2S) -2-hydroxycycloheptyl]carbamate
AHA59110-01	(1S,2S) -Tapentadol hydrochloride
ZTB68780-01	(1S,2S) -Threo-honokitriol
XAA88243-01	(1S,2S) -2-Nitrocyclopropanecarboxylic acid
CFA19914-01	(1S,2S) -2-Fluorocyclopropanecarboxylic acid
DAA20534	[1S,2S, (-) ]-1,2-Cyclohexanedimethanol
FD170364-01	(1S,2S) -N, N'-Dimethyl-1,2-diphenyl-1,2-ethylenediamine
FB52620-01	(1S,2S) -Boc-1,2-diaminocyclopentane

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AR-D05957-01	Darunavir N-Boc Impurity (1S,2S)
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S2500-01	(1S,2S) -N, N-Dimethyl-1,2-Cyclohexanediamine
273471-01	N, N'-Dimethyl- (1S,2S) -1,2-Cyclohexanediamine
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sc-298002	(1S,2S) -N-Methylsulfonyl-1,2-diphenylethanediamine
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