naphthalen-2-(15N)amine

• ChemBase ID: 136539
• Molecular Formular: C10H9N
• Molecular Mass: 144.1785689
• Monoisotopic Mass: 144.07053419
• SMILES: c1ccc2cc(ccc2c1)[15NH2]
• Canonical SMILES: [15NH2]c1ccc2c(c1)cccc2
• InChI: InChI=1S/C10H9N/c11-10-6-5-8-3-1-2-4-9(8)7-10/h1-7H,11H2/i11+1
• InChIKey: JBIJLHTVPXGSAM-KHWBWMQUSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: naphthalen-2-(^1^5N)amine
• IUPAC Traditional name: naphthalen-2-(^1^5N)amine
• Synonyms: β-Naphthylamine-15N; 2-Amino-15N-naphthalene; 2-Naphthylamine-15N

Database IDs

• MDL Number: MFCD19686993
• PubChem SID: 162230809
• PubChem CID: 12208545

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 2.109933
• LogD (pH = 7.4): 2.1334877
• Log P: 2.1337967
• Molar Refractivity: 47.2086 cm^3
• Polarizability: 19.12932 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 111-113 °C(lit.)
• Mass Shift: M+1

Safety Information

• European Hazard Symbols: Nature polluting (N); Toxic (T)
• UN Number: 1650
• German water hazard class: 2
• Hazard Class: 6.1
• Packing Group: 2
• Risk Statements: 45-22-51/53
• Safety Statements: 53-45-61
• GHS Pictograms: GHS07; GHS08; GHS09
• GHS Signal Word: Danger
• GHS Hazard statements: H302-H350-H411
• GHS Precautionary statements: P201-P273-P308 + P313
• RID/ADR: UN 1650 6.1/PG 2

Product Information

• Purity: 98% (CP)
• Isotopic Purity: 98 atom % 15N
• Mol. Weight: mol wt 144.16 by atom % calculation
• Empirical Formula (Hill Notation): C10H915N

DETAILS

Sigma Aldrich - 697834

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.