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Nordeprenyl (>90%)

CAT: 0572-TRC-N668000-100MGSize: 100 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-N668000-100MGSize:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
18913-84-3
Synonyms
N-[(1RS)-1-Methyl-2-phenylethyl]prop-2-yn-1-amine; rac-Demethylselegiline
Hazard Statement
Not a hazardous substance according to GHS.
Purity
>95% (HPLC)
Smiles
CC(Cc1ccccc1)NCC#C
Molecular Formula
C12 H15 N
Molecular Weight
173.25
InChI
InChI=1S/C12H15N/c1-3-9-13-11(2)10-12-7-5-4-6-8-12/h1,4-8,11,13H,9-10H2,2H3
Additionnal Information
IUPAC name: 1-phenyl-N-prop-2-ynylpropan-2-amine
Shipping Conditions
Room Temperature
Storage Conditions
-20°C

Chemical Information

(1-Phenylpropan-2-yl)(prop-2-yn-1-yl)amine
CAS Number18913-84-3
PubChem CID200718
IUPAC Name1-phenyl-N-prop-2-ynylpropan-2-amine
Molecular FormulaC12H15N
Molecular Weight173.25
XLogP2.3
Topological Polar Surface Area12
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count4
Heavy Atom Count13
Formal Charge0
Complexity171
SMILES
CC(CC1=CC=CC=C1)NCC#C
InChI
InChI=1S/C12H15N/c1-3-9-13-11(2)10-12-7-5-4-6-8-12/h1,4-8,11,13H,9-10H2,2H3
InChIKey
UUFAJPMQSFXDFR-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of (1-Phenylpropan-2-yl)(prop-2-yn-1-yl)amine
CAS: 18913-84-3
CID: 200718
Formula: C12H15N
MW: 173.25
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight173.25
XLogP32.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count4
Exact Mass173.120449483
Monoisotopic Mass173.120449483
Topological Polar Surface Area12 Ų
Heavy Atom Count13
Formal Charge0
Complexity171
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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