naphthalene-1,2-diamine

• ChemBase ID: 166833
• Molecular Formular: C10H10N2
• Molecular Mass: 158.1998
• Monoisotopic Mass: 158.08439833
• SMILES: c12c(cccc1)ccc(c2N)N
• Canonical SMILES: Nc1ccc2c(c1N)cccc2
• InChI: InChI=1S/C10H10N2/c11-9-6-5-7-3-1-2-4-8(7)10(9)12/h1-6H,11-12H2
• InChIKey: NTNWKDHZTDQSST-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: naphthalene-1,2-diamine
• IUPAC Traditional name: 1,2-diaminonaphthalene
• Synonyms: 1,2-Naphthalenediamine Hemisulfate; NSC 62691 Hemisulfate; 1,2-Diaminonaphthalene HemisulfateDISCONTINUED. See D416400; 1,2-Naphthalenediamine; NSC 62691; 1,2-Diaminonaphthalene

Database IDs

• CAS Number: 938-25-0
• PubChem SID: 162260966
• PubChem CID: 13648

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 1.2781229
• LogD (pH = 7.4): 1.3045233
• Log P: 1.3048706
• Molar Refractivity: 51.909 cm^3
• Polarizability: 20.20793 Å^3
• Polar Surface Area: 52.04 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: Dichloromethane; DMSO
• Apperance: Brown Solid; Light-Orange Solid
• Melting Point: 266-270°C (dec.); 92-94°C

Safety Information

• Storage Condition: -20°C Freezer, Under Inert Atmosphere

DETAILS

Toronto Research Chemicals - D416400

Reacts with aldehydes to produce highly fluorescent imidazole derivatives. A fluorometric labeling reagent. It is used for fluorophotometric determination of selenium in some kinds of mushroom.

Toronto Research Chemicals - D416401

Reacts with aldehydes to produce highly fluorescent imidazole derivatives. A fluorometric labeling reagent. It is used for fluorophotometric determination of selenium in some kinds of mushroom.

REFERENCES

• Lehmann, S., et al.: J. Biol. Chem., 272, 21479 (1997)
• Ragg, E., et al.: Eur. J. Biochem., 266, 1192 (1997)
• Tagliavini, F., et al.: J. Mol. Biol., 300, 1309 (1997)
• Lehmann, S., et al.: J. Biol. Chem., 272, 21479 (1997)
• Ragg, E., et al.: Eur. J. Biochem., 266, 1192 (1997)
• Tagliavini, F., et al.: J. Mol. Biol., 300, 1309 (1997)