(S) -Rasagiline 5mg

CAT: 0628-A21272-5Size: 5 mgDry Ice: NoHazardous: No

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CAT#:0628-A21272-5Size:5 mg

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CAS Number

185517-74-2

Chemical Information

(1S)-2,3-Dihydro-N-2-propyn-1-yl-1H-inden-1-amine

CAS Number	185517-74-2
PubChem CID	5289310
IUPAC Name	(1S)-N-prop-2-ynyl-2,3-dihydro-1H-inden-1-amine
Molecular Formula	C12H13N
Molecular Weight	171.24
XLogP	1.8
Topological Polar Surface Area	12
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	2
Heavy Atom Count	13
Formal Charge	0
Complexity	212

SMILES

C#CCN[C@H]1CCC2=CC=CC=C12

InChI

InChI=1S/C12H13N/c1-2-9-13-12-8-7-10-5-3-4-6-11(10)12/h1,3-6,12-13H,7-9H2/t12-/m0/s1

InChIKey

RUOKEQAAGRXIBM-LBPRGKRZSA-N

Chemical Structure

2D Structure

CAS: 185517-74-2

CID: 5289310

Formula: C12H13N

MW: 171.24

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	171.24
XLogP3	1.8
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	2
Exact Mass	171.104799419
Monoisotopic Mass	171.104799419
Topological Polar Surface Area	12 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	212
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

Catalog	Name
A21856-5	(S) -Rasagiline mesylate 5mg
A11722-5	Rasagiline mesylate 5mg
A21272-50	(S) -Rasagiline 50mg
A21272-100	(S) -Rasagiline 100mg
A21272-10	(S) -Rasagiline 10mg
A21350-5	Rasagiline 13C3 mesylate racemic 5mg
A21272-25	(S) -Rasagiline 25mg
A21856-50	(S) -Rasagiline mesylate 50mg
A21856-100	(S) -Rasagiline mesylate 100mg
A21856-1	(S) -Rasagiline mesylate 1mg