Rasagiline Impurity 9 HCl

CAT: 1596-AR-R10368-01Size: 10 UnitsDry Ice: NoHazardous: No

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CAT#:1596-AR-R10368-01Size:10 Units

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CAS Number

2225146-78-9

Synonyms

N-allyl-2,3-dihydro-1H-inden-1-amine, hydrochloride (1:1)

Molecular Formula

C12H15N. HCl

Molecular Weight

173.26 36.46

API Name

Rasagiline

Chemical Information

N-(prop-2-en-1-yl)-2,3-dihydro-1H-inden-1-amine hydrochloride

CAS Number	2225146-78-9
PubChem CID	137964261
IUPAC Name	N-prop-2-enyl-2,3-dihydro-1H-inden-1-amine;hydrochloride
Molecular Formula	C12H16ClN
Molecular Weight	209.71
Topological Polar Surface Area	12
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	3
Heavy Atom Count	14
Formal Charge	0
Complexity	176

SMILES

C=CCNC1CCC2=CC=CC=C12.Cl

InChI

InChI=1S/C12H15N.ClH/c1-2-9-13-12-8-7-10-5-3-4-6-11(10)12;/h2-6,12-13H,1,7-9H2;1H

InChIKey

NDVBNOUBVJKVBY-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 2225146-78-9

CID: 137964261

Formula: C12H16ClN

MW: 209.71

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	209.71
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	3
Exact Mass	209.0971272
Monoisotopic Mass	209.0971272
Topological Polar Surface Area	12 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	176
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	2
Compound Is Canonicalized	Yes