ethyl(propyl)amine

• ChemBase ID: 107574
• Molecular Formular: C5H13N
• Molecular Mass: 87.16342
• Monoisotopic Mass: 87.10479942
• SMILES: CCCNCC
• Canonical SMILES: CCNCCC
• InChI: InChI=1S/C5H13N/c1-3-5-6-4-2/h6H,3-5H2,1-2H3
• InChIKey: XCVNDBIXFPGMIW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ethyl(propyl)amine
• IUPAC Traditional name: 1-propanamine, N-ethyl-
• Synonyms: N-Ethylpropylamine; N-ETHYL-n-PROPYLAMINE; ethyl(propyl)amine; N-乙基丙胺

Database IDs

• CAS Number: 20193-20-8
• EC Number: 243-573-4
• MDL Number: MFCD00015198
• PubChem SID: 162093991
• PubChem CID: 88398

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -2.193526
• LogD (pH = 7.4): -1.9058706
• Log P: 1.0432599
• Molar Refractivity: 28.7146 cm^3
• Polarizability: 11.495053 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Apperance: Liquid
• Boiling Point: 79°C; 80-85°C
• Flash Point: 4.4°C(40°F)
• Density: 0.72 g/ml; 0.748
• Hydrophobicity(logP): 1.069

Safety Information

• European Hazard Symbols: Corrosive (C); Flammable (F)
• UN Number: UN2733
• Hazard Class: 3
• Packing Group: II
• Risk Statements: 11-34; R:11-34
• Safety Statements: 20-26-36/37/39-45; S:16-27/28-29-36/37/39-45
• TSCA Listed: 是
• GHS Pictograms: GHS02; GHS05
• GHS Hazard statements: H225-H314-H318
• GHS Precautionary statements: P210-P241-P303+P361+P353-P305+P351+P338-P405-P501A

Product Information

• Purity: 95%; 97+%