(-) -Methylephedrine

CAT: 0926-AAA55279-01Size: 2 gDry Ice: NoHazardous: No

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CAT#:0926-AAA55279-01Size:2 g

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CAS Number

552-79-4

MDL Number

MFCD00004504

Smiles

CC (C (C1=CC=CC=C1) O) N (C) C

Molecular Formula

C11H17NO

Molecular Weight

179.26 g/mol

Controlled

Yes

Chemical Information

Methylephedrine

(1R,2S)-2-(dimethylamino)-1-phenyl-1-propanol is an alkylbenzene.

CAS Number	552-79-4
PubChem CID	64782
IUPAC Name	(1R,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-ONGXEEELSA-N

Chemical Structure

2D Structure

CAS: 552-79-4

CID: 64782

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
TRC-M850500-10MG	(-)-Methylephedrine Hydrochloride
GTR19281286-01	(−) -N-Methylephedrine
sc-396250	dl-Methylephedrine hydrochloride
CS-O-11115	Methylephedrine-d3 Hydrochloride
CS-ED-00600	(1R,2S) -l-N-methylephedrine Hydrochloride