propan-1-(15N)amine

• ChemBase ID: 135286
• Molecular Formular: C3H9N
• Molecular Mass: 60.1036689
• Monoisotopic Mass: 60.07053419
• SMILES: CCC[15NH2]
• Canonical SMILES: CCC[15NH2]
• InChI: InChI=1S/C3H9N/c1-2-3-4/h2-4H2,1H3/i4+1
• InChIKey: WGYKZJWCGVVSQN-AZXPZELESA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: propan-1-(^1^5N)amine
• IUPAC Traditional name: propan-1-(^1^5N)amine
• Synonyms: Propylamine-15N; 丙胺-15N

Database IDs

• CAS Number: 53754-16-8
• MDL Number: MFCD01075612
• PubChem SID: 162229561
• PubChem CID: 16213612

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -2.7702847
• LogD (pH = 7.4): -2.355427
• Log P: 0.25387147
• Molar Refractivity: 19.1914 cm^3
• Polarizability: 7.800994 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: -83 °C
• Boiling Point: 48 °C
• Flash Point: -22 °F; -30 °C
• Density: 0.731 g/mL at 25 °C
• Mass Shift: M+1

Safety Information

• European Hazard Symbols: Corrosive (C); Flammable (F)
• German water hazard class: 1
• Risk Statements: 11-20/21/22-34
• Safety Statements: 26-36/37/39-45
• GHS Pictograms: GHS05; GHS07
• GHS Signal Word: Danger
• GHS Hazard statements: H302 + H312-H314
• GHS Precautionary statements: P280-P305 + P351 + P338-P310

Product Information

• Isotopic Purity: 98 atom % 15N
• Mol. Weight: mol wt 60.09 by atom % calculation
• Linear Formula: CH3CH2CH215NH2

DETAILS

Sigma Aldrich - 608858

Packaging
This product may be available from bulk stock and can be packaged on demand. For information on pricing, availability and packaging, please contact Stable Isotopes Customer Service.