Milnacipran Impurity 14

CAT: 1596-AR-M01895-01Size: 150Dry Ice: NoHazardous: No

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CAT#:1596-AR-M01895-01Size:150

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CAS Number

871100-19-5

Synonyms

2- (aminomethyl) -1-phenylcyclopropanecarboxylicacid

Molecular Formula

C11H13NO2

Molecular Weight

191.23

API Name

Milnacipran

Chemical Information

Milnacipran A

CAS Number	871100-19-5
PubChem CID	11608072
IUPAC Name	2-(aminomethyl)-1-phenylcyclopropane-1-carboxylic acid
Molecular Formula	C11H13NO2
Molecular Weight	191.23
XLogP	-1.6
Topological Polar Surface Area	63.3
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
Heavy Atom Count	14
Formal Charge	0
Complexity	235

SMILES

C1C(C1(C2=CC=CC=C2)C(=O)O)CN

InChI

InChI=1S/C11H13NO2/c12-7-9-6-11(9,10(13)14)8-4-2-1-3-5-8/h1-5,9H,6-7,12H2,(H,13,14)

InChIKey

RKFHJXBVMPGLRG-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 871100-19-5

CID: 11608072

Formula: C11H13NO2

MW: 191.23

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	191.23
XLogP3	-1.6
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
Exact Mass	191.094628657
Monoisotopic Mass	191.094628657
Topological Polar Surface Area	63.3 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	235
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	2
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes