(2H6)naphthalene-1,8-di(2H2)amine

• ChemBase ID: 136025
• Molecular Formular: C10H10N2
• Molecular Mass: 158.1998
• Monoisotopic Mass: 158.08439833
• SMILES: c1cc2cccc(c2c(c1)N)N
• Canonical SMILES: Nc1cccc2c1c(N)ccc2
• InChI: InChI=1S/C10H10N2/c11-8-5-1-3-7-4-2-6-9(12)10(7)8/h1-6H,11-12H2
• InChIKey: YFOOEYJGMMJJLS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (^2H₆)naphthalene-1,8-di(^2H₂)amine
• IUPAC Traditional name: (^2H₆)naphthalene-1,8-di(^2H₂)amine
• Synonyms: 1,8-Diaminonaphthalene-d10; 1,8-二氨基萘-d10

Database IDs

• MDL Number: MFCD08702926
• PubChem SID: 162230296
• PubChem CID: 71309550

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 1.2587748
• LogD (pH = 7.4): 1.3042595
• Log P: 1.3048706
• Molar Refractivity: 51.909 cm^3
• Polarizability: 20.239365 Å^3
• Polar Surface Area: 52.04 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 60-65 °C(lit.)
• Boiling Point: 205 °C/12 mmHg(lit.)
• Mass Shift: M+10

Safety Information

• European Hazard Symbols: Harmful (Xn)
• German water hazard class: 3
• Risk Statements: 22-40-43
• Safety Statements: 36/37
• GHS Pictograms: GHS07; GHS08
• GHS Signal Word: Warning
• GHS Hazard statements: H302-H317-H351
• GHS Precautionary statements: P280
• Personal Protective Equipment: Eyeshields, Faceshields, full-face particle respirator type N100 (US), Gloves, respirator cartridge type N100 (US), type P1 (EN143) respirator filter, type P3 (EN 143) respirator cartridges

Product Information

• Isotopic Purity: 96 atom % D; 97% (CP)
• Mol. Weight: mol wt 167.86 by atom % calculation
• Empirical Formula (Hill Notation): C10D10N2

DETAILS

Sigma Aldrich - 641898

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.