Benzenepropanamine

Compound Structure:

Synonyms:

3-Phenylpropylamine;3-phenylpropan-1-amine;2038-57-5;Benzenepropanamine;3-Phenyl-1-propylamine;1-Amino-3-phenylpropane;Hydrocinnamylamine;3-Phenyl-n-propylamine;gamma-Phenylpropylamine;3-phenylpropanamine;3-Phenyl-1-propanamine

Compound ID:

NMPC-642

PubChem ID:

16259

Molecular Formula:

C9H13N

Canonical SMILES:

C1=CC=C(C=C1)CCCN

InChIKey:

LYUQWQRTDLVQGA-UHFFFAOYSA-N

About the compound:

GHS Hazard Statements

H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]

Properties:

Chemical and Physical Properties

Computed Properties

Property Name	Property Value
Molecular Weight	135.21 g/mol
XLogP3	1.8
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	3
Exact Mass	135.104799419 g/mol
Monoisotopic Mass	135.104799419 g/mol
Topological Polar Surface Area	26Å²
Heavy Atom Count	10
Formal Charge	0
Complexity	74.8
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes
Physical Description	Colorless liquid with an amine-like odor; [Alfa Aesar MSDS]
Vapor Pressure	0.11 [mmHg]

Source: PubChem

Source Species:

Bryophyllum pinnatum

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