propan-1-(15N)amine hydrochloride

• ChemBase ID: 145250
• Molecular Formular: C3H10ClN
• Molecular Mass: 96.5646089
• Monoisotopic Mass: 96.0472119
• SMILES: CCC[15NH2].Cl
• Canonical SMILES: CCC[15NH2].Cl
• InChI: InChI=1S/C3H9N.ClH/c1-2-3-4;/h2-4H2,1H3;1H/i4+1
• InChIKey: PYNUOAIJIQGACY-VZHAHHFWSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 84050-99-7
• MDL Number: MFCD00190533
• PubChem SID: 24872825; 162239458
• PubChem CID: 16213611

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: 162-162 °C(lit.)
• Mass Shift: M+1

Safety Information

• European Hazard Symbols: Harmful (Xn)
• German water hazard class: 3
• Risk Statements: 22-36/37/38
• Safety Statements: 26
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H302-H315-H319-H335
• GHS Precautionary statements: P261-P305 + P351 + P338
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves

Product Information

• Isotopic Purity: 98 atom % 15N
• Mol. Weight: mol wt 98.57 by atom % calculation
• Linear Formula: CH3CH2CH215NH2·HCl

DETAILS

Sigma Aldrich - 493368

Packaging
1 g in glass bottle
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.