Metaraminol Impurity 6

CAT: 1596-AR-M04312-01Size: 10 UnitsDry Ice: NoHazardous: No

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CAT#:1596-AR-M04312-01Size:10 Units

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CAS Number

47017-04-9

Molecular Formula

C16H19NO2

Molecular Weight

257.33

API Name

Metaraminol bitartrate

Chemical Information

(1R,2S)-2-Amino-1-[3-(benzyloxy)phenyl]-1-propanol

CAS Number	47017-04-9
PubChem CID	95004998
IUPAC Name	(1R,2S)-2-amino-1-(3-phenylmethoxyphenyl)propan-1-ol
Molecular Formula	C16H19NO2
Molecular Weight	257.33
XLogP	2
Topological Polar Surface Area	55.5
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	5
Heavy Atom Count	19
Formal Charge	0
Complexity	253

SMILES

C[C@@H]([C@@H](C1=CC(=CC=C1)OCC2=CC=CC=C2)O)N

InChI

InChI=1S/C16H19NO2/c1-12(17)16(18)14-8-5-9-15(10-14)19-11-13-6-3-2-4-7-13/h2-10,12,16,18H,11,17H2,1H3/t12-,16-/m0/s1

InChIKey

KUROJUPTEJDZJB-LRDDRELGSA-N

Chemical Structure

2D Structure

CAS: 47017-04-9

CID: 95004998

Formula: C16H19NO2

MW: 257.33

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	257.33
XLogP3	2
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	5
Exact Mass	257.141578849
Monoisotopic Mass	257.141578849
Topological Polar Surface Area	55.5 Å²
Heavy Atom Count	19
Formal Charge	0
Complexity	253
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