Rasagiline Impurity 3 HCl

CAT: 1596-AR-R10377-01Size: 10 UnitsDry Ice: NoHazardous: No

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CAT#:1596-AR-R10377-01Size:10 Units

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CAS Number

1175018-80-0

Synonyms

(R, Z) -N- (3-chloroallyl) -2,3-dihydro-1H-inden-1-amine, hydrochloride (1:1)

Molecular Formula

C12H14ClN. HCl

Molecular Weight

207.71 36.46

API Name

Rasagiline

Chemical Information

(R,Z)-N-(3-Chloroallyl)-2,3-dihydro-1H-inden-1-amine hydrochloride

CAS Number	1175018-80-0
PubChem CID	154706250
IUPAC Name	(1R)-N-[(Z)-3-chloroprop-2-enyl]-2,3-dihydro-1H-inden-1-amine;hydrochloride
Molecular Formula	C12H15Cl2N
Molecular Weight	244.16
Topological Polar Surface Area	12
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	3
Heavy Atom Count	15
Formal Charge	0
Complexity	202

SMILES

C1CC2=CC=CC=C2[C@@H]1NC/C=C\Cl.Cl

InChI

InChI=1S/C12H14ClN.ClH/c13-8-3-9-14-12-7-6-10-4-1-2-5-11(10)12;/h1-5,8,12,14H,6-7,9H2;1H/b8-3-;/t12-;/m1./s1

InChIKey

XSGWVDYIYJOVCZ-ZDFSRXSCSA-N

Chemical Structure

2D Structure

CAS: 1175018-80-0

CID: 154706250

Formula: C12H15Cl2N

MW: 244.16

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	244.16
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	3
Exact Mass	243.0581549
Monoisotopic Mass	243.0581549
Topological Polar Surface Area	12 Å²
Heavy Atom Count	15
Formal Charge	0
Complexity	202
Isotope Atom Count	0
Defined Atom Stereocenter Count	1
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	1
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	2
Compound Is Canonicalized	Yes