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4-Phenylbutylamine

CAT: 0572-TRC-P399615-100MGSize: 100 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-P399615-100MGSize:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
13214-66-9
Synonyms
Primidone Imp. C (EP); Primidone USP Related Compound C; Primidone USP RC C; 1-Amino-4-phenylbutane; 4-Phenyl-1-aminobutane; 4-Phenyl-1-butylamine; 4-Phenyl-n-butylamine; 4-Phenylbutan-1-amine; 4-Phenylbutanamine; Benzenebutanamine; δ-Phenylbutylamine; δ-Phenyl-n-butylamine
Hazard Statement
Causes skin irritation.
Purity
>95% (HPLC)
Smiles
NCCCCc1ccccc1
Molecular Formula
C10 H15 N
Molecular Weight
149.23
InChI
InChI=1S/C10H15N/c11-9-5-4-8-10-6-2-1-3-7-10/h1-3,6-7H,4-5,8-9,11H2
Additionnal Information
IUPAC name: 4-phenylbutan-1-amine
Shipping Conditions
Room Temperature
Storage Conditions
+4°C

Chemical Information

Benzenebutanamine

4-phenylbutylamine is a phenylalkylamine that is benzene in which one of the hydrogens is substituted by a 4-aminobutyl group. It is a member of benzenes, a primary amino compound and a phenylalkylamine.

CAS Number13214-66-9
PubChem CID83242
IUPAC Name4-phenylbutan-1-amine
Molecular FormulaC10H15N
Molecular Weight149.23
XLogP2.4
Topological Polar Surface Area26
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count4
Heavy Atom Count11
Formal Charge0
Complexity84
SMILES
C1=CC=C(C=C1)CCCCN
InChI
InChI=1S/C10H15N/c11-9-5-4-8-10-6-2-1-3-7-10/h1-3,6-7H,4-5,8-9,11H2
InChIKey
AGNFWIZBEATIAK-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Benzenebutanamine
CAS: 13214-66-9
CID: 83242
Formula: C10H15N
MW: 149.23
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight149.23
XLogP32.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count4
Exact Mass149.120449483
Monoisotopic Mass149.120449483
Topological Polar Surface Area26 Ų
Heavy Atom Count11
Formal Charge0
Complexity84.9
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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