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1-Phenylpentan-2-amine

CAT: 0572-TRC-B522708-250MGSize: 250 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-B522708-250MGSize:250 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
63951-01-9
Synonyms
alpha-Propylbenzeneethanamine; alpha-Propylphenethylamine;
Hazard Statement
No Data Available
Purity
>95% (HPLC)
Smiles
CCCC(N)Cc1ccccc1
Molecular Formula
C11H17N
Molecular Weight
163.25
Shipping Conditions
Room Temperature
Storage Conditions
+4°C

Chemical Information

Phenethylamine, alpha-propyl-
CAS Number63951-01-9
PubChem CID115410
IUPAC Name1-phenylpentan-2-amine
Molecular FormulaC11H17N
Molecular Weight163.26
XLogP2.8
Topological Polar Surface Area26
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count4
Heavy Atom Count12
Formal Charge0
Complexity106
SMILES
CCCC(CC1=CC=CC=C1)N
InChI
InChI=1S/C11H17N/c1-2-6-11(12)9-10-7-4-3-5-8-10/h3-5,7-8,11H,2,6,9,12H2,1H3
InChIKey
VXGQDFOHLMAZIV-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Phenethylamine, alpha-propyl-
CAS: 63951-01-9
CID: 115410
Formula: C11H17N
MW: 163.26
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight163.26
XLogP32.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count4
Exact Mass163.136099547
Monoisotopic Mass163.136099547
Topological Polar Surface Area26 Ų
Heavy Atom Count12
Formal Charge0
Complexity106
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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Alternative Products

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NCA95101-011-Phenylpentan-2-amine
OR82338-015-Phenylpentan-1-amine
AR-A06197-011-Phenylpentan-3-Amine
AN KC 0233-015-phenylpentan-2-amine
ZZB98006-015-Methoxy-1-phenylpentan-2-amine
AN KA 1195-014-phenylpentan-1-amine
JXB45897-01Ethyl (1-phenylpentan-2-yl) amine
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