Metaraminol Impurity 50

CAT: 1299-RM-M201850-01Size: 10 mgDry Ice: NoHazardous: No

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CAT#:1299-RM-M201850-01Size:10 mg

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CAS Number

18840-47-6

Synonyms

(S) -3- (2-aminopropyl) phenol

Molecular Formula

C9H13NO

Molecular Weight

151.21

Target Alternative Name

Metaraminol

Product Name Synonym

(S) -3- (2-aminopropyl) phenol

Chemical Information

Gepefrine

isomer of PARA-HYDROXYAMPHETAMINE which is also called alpha-methyl-tyramine

CAS Number	18840-47-6
PubChem CID	219105
IUPAC Name	3-[(2S)-2-aminopropyl]phenol
Molecular Formula	C9H13NO
Molecular Weight	151.21
XLogP	1.4
Topological Polar Surface Area	46.3
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Heavy Atom Count	11
Formal Charge	0
Complexity	116

SMILES

C[C@@H](CC1=CC(=CC=C1)O)N

InChI

InChI=1S/C9H13NO/c1-7(10)5-8-3-2-4-9(11)6-8/h2-4,6-7,11H,5,10H2,1H3/t7-/m0/s1

InChIKey

WTDGMHYYGNJEKQ-ZETCQYMHSA-N

Chemical Structure

2D Structure

CAS: 18840-47-6

CID: 219105

Formula: C9H13NO

MW: 151.21

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	151.21
XLogP3	1.4
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Exact Mass	151.099714038
Monoisotopic Mass	151.099714038
Topological Polar Surface Area	46.3 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	116
Isotope Atom Count	0
Defined Atom Stereocenter Count	1
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes