naphthalene-2,3-di(15N)amine

• ChemBase ID: 135977
• Molecular Formular: C10H10N2
• Molecular Mass: 160.1866178
• Monoisotopic Mass: 160.07846812
• SMILES: c1ccc2cc(c(cc2c1)[15NH2])[15NH2]
• Canonical SMILES: [15NH2]c1cc2ccccc2cc1[15NH2]
• InChI: InChI=1S/C10H10N2/c11-9-5-7-3-1-2-4-8(7)6-10(9)12/h1-6H,11-12H2/i11+1,12+1
• InChIKey: XTBLDMQMUSHDEN-ALQHTKJJSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: naphthalene-2,3-di(^1^5N)amine
• IUPAC Traditional name: naphthalene-2,3-di(^1^5N)amine
• Synonyms: 2,3-Diaminonaphthalene-15N2; 2,3-二氨基萘-15N2

Database IDs

• MDL Number: MFCD09842656
• PubChem SID: 162230248
• PubChem CID: 71309522

CALCULATED PROPERTIES

• Polar Surface Area: 52.04 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 1.2774887
• LogD (pH = 7.4): 1.3045149
• Log P: 1.3048706
• Molar Refractivity: 51.909 cm^3
• Polarizability: 20.20574 Å^3

PROPERTIES

Physical Property

• Melting Point: 197-203 °C(lit.)
• Mass Shift: M+2

Safety Information

• European Hazard Symbols: Toxic (T)
• German water hazard class: 3
• Risk Statements: 45-36/37/38
• Safety Statements: 53-26-36-45

Product Information

• Purity: 97% (CP)
• Isotopic Purity: 98 atom % 15N
• Mol. Weight: mol wt 160.16 by atom % calculation
• Empirical Formula (Hill Notation): C10H1015N2

DETAILS

Sigma Aldrich - 658189

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.