phenylmethan(15N)amine

• ChemBase ID: 150036
• Molecular Formular: C7H9N
• Molecular Mass: 108.1464689
• Monoisotopic Mass: 108.07053419
• SMILES: c1ccc(cc1)C[15NH2]
• Canonical SMILES: [15NH2]Cc1ccccc1
• InChI: InChI=1S/C7H9N/c8-6-7-4-2-1-3-5-7/h1-5H,6,8H2/i8+1
• InChIKey: WGQKYBSKWIADBV-VJJZLTLGSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: phenylmethan(^1^5N)amine
• IUPAC Traditional name: phenylmethan(^1^5N)amine
• Synonyms: Benzylamine-15N; 苄胺-15N

Database IDs

• CAS Number: 42927-57-1
• MDL Number: MFCD00190515
• PubChem SID: 24872378; 162244198
• PubChem CID: 10057460

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -1.890384
• LogD (pH = 7.4): -0.9633724
• Log P: 1.0990143
• Molar Refractivity: 34.5314 cm^3
• Polarizability: 13.75059 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 10 °C(lit.)
• Boiling Point: 184-185 °C(lit.)
• Flash Point: 140 °F; 60 °C
• Density: 0.990 g/mL at 25 °C
• Refractive Index: n20/D 1.543(lit.)
• Mass Shift: M+1

Safety Information

• European Hazard Symbols: Corrosive (C)
• UN Number: 2734
• German water hazard class: 1
• Hazard Class: 8
• Packing Group: 2
• Risk Statements: 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
• RID/ADR: UN 2734 8/PG 2

Product Information

• Isotopic Purity: 98 atom % 15N
• Mol. Weight: mol wt 108.15 by atom % calculation
• Linear Formula: C6H5CH215NH2

DETAILS

Sigma Aldrich - 488208

Packaging
1 g in ampule
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.