ChemFOnt: Showing chemical card for 1-Propylamine (CFc000015085)

Record Information

Version

1.0

Creation Date

2022-08-28 10:25:12 UTC

Update Date

2022-09-13 19:04:06 UTC

Chemfont ID

CFc000015085

Molecule Identification

Common Name

1-Propylamine

Definition

1-Propylamine, also known as 1-aminopropane or 3-aminopropyl, belongs to the class of organic compounds known as monoalkylamines. These are organic compounds containing an primary aliphatic amine group. 1-Propylamine is an ammoniacal tasting compound. It is a colorless volatile liquid. 1-Propylamine is found, on average, in the highest concentration within a few different foods, such as yellow bell peppers, red bell peppers, and pepper (c. annuum) and in a lower concentration in orange bell peppers and green bell peppers. 1-Propylamine has also been detected, but not quantified, in common grapes and wild celeries. Propylamine is a weak base. Propyl amine hydrochloride can be prepared by reacting 1-propanol with ammonium chloride at high temperature and pressure using a Lewis acid catalyst such as ferric chloride.

Structure

MOL SDF PDB SMILES InChI

Synonyms

Value	Source
1-Aminopropane	ChEBI
1-Propanamine	ChEBI
mono-N-Propylamine	ChEBI
N-Propylamine	ChEBI
(C10-C16) Alkylalkoxypropyleneamine	HMDB
(C10-C16)Alkylalkoxypropyleneamine	HMDB
(C12-C18) Alkylalkoxypropyleneamine	HMDB
(C12-C18)Alkyl alkoxypropylene amine	HMDB
(C14-C18)Alkylalkoxypropyleneamine	HMDB
(C16-C22)Alkyl alkoxypropyleneamine	HMDB
(C6-C12) Alkylalkoxypropyleneamine	HMDB
(C6-C12)Alkylalkoxypropyleneamine	HMDB
1-Propanamine, 3-(C10-16-alkyloxy) derivs.	HMDB
1-Propanamine, 3-(C12-18-alkyloxy) derivs.	HMDB
1-Propanamine, 3-(C14-18-alkyloxy) derivs.	HMDB
1-Propanamine, 3-(C16-22-alkyloxy) derivs.	HMDB
1-Propanamine, 3-(C6-12-alkyloxy) derivs.	HMDB
3-AMINOPROPYL	HMDB
AYE	HMDB
Monopropylamine	HMDB
N-C3H7NH2	HMDB
N-Propyl amine	HMDB
Propan-1-amine	HMDB
Propanamine	HMDB
Propanamine, 9ci	HMDB
Propyl amines	HMDB
Propylamine	HMDB
1-Propylamine	ChEBI

Chemical Formula

C₃H₉N

Average Molecular Weight

59.1103

Monoisotopic Molecular Weight

59.073499293

IUPAC Name

propan-1-amine

Traditional Name

propylamine

CAS Registry Number

107-10-8

SMILES

CCCN

InChI Identifier

InChI=1S/C3H9N/c1-2-3-4/h2-4H2,1H3

InChI Key

WGYKZJWCGVVSQN-UHFFFAOYSA-N

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as monoalkylamines. These are organic compounds containing an primary aliphatic amine group.

Kingdom

Organic compounds

Super Class

Organic nitrogen compounds

Class

Organonitrogen compounds

Sub Class

Amines

Direct Parent

Monoalkylamines

Alternative Parents

Substituents

Organopnictogen compound
Hydrocarbon derivative
Primary aliphatic amine
Aliphatic acyclic compound

Molecular Framework

Aliphatic acyclic compounds

External Descriptors

alkylamines (CHEBI:39870 )
a small molecule (CPD-9379 )

Functional Ontology

Physiological effect

Organoleptic effect

Odor

Ammoniacal

Feces (PMID: 19573517)

Cellular substructure

Extracellular (HMDB: HMDB0034006)
Cytoplasm (HMDB: HMDB0034006)

Route of exposure

Enteral

Ingestion (HMDB: HMDB0034006)

Source

Exogenous

Exogenous (HMDB: HMDB0034006)

Food

Food (HMDB: HMDB0034006)

Beverage

Fermented beverage

Beer (FooDB: FOOD00268)

Herb and spice

Spice

Wild celery (FooDB: FOOD00015)

Common grape (FooDB: FOOD00204)

Endogenous

Plant

Plant (HMDB: HMDB0034006)

Process

Not Available

Role

Biological role

Nutrient (HMDB: HMDB0034006)

Physical Properties

Predicted Properties

Property	Value	Source
Water Solubility	233 g/L	ALOGPS
logP	0.31	ALOGPS
logP	0.25	ChemAxon
logS	0.59	ALOGPS
pKa (Strongest Basic)	10.21	ChemAxon
Physiological Charge	1	ChemAxon
Hydrogen Acceptor Count	1	ChemAxon
Hydrogen Donor Count	1	ChemAxon
Polar Surface Area	26.02 Å²	ChemAxon
Rotatable Bond Count	1	ChemAxon
Refractivity	19.19 m³·mol⁻¹	ChemAxon
Polarizability	7.68 Å³	ChemAxon
Number of Rings	0	ChemAxon
Bioavailability	Yes	ChemAxon
Rule of Five	Yes	ChemAxon
Ghose Filter	No	ChemAxon
Veber's Rule	Yes	ChemAxon
MDDR-like Rule	No	ChemAxon