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Substance Name: 1,5-Naphthalenediamine
RN: 2243-62-1
UNII: 13PD3J52LK
InChIKey: KQSABULTKYLFEV-UHFFFAOYSA-N

Molecular Formula

  • C10-H10-N2

Molecular Weight

  • 158.203
 

Classification Codes

Classification Codes

  • Mutation Data
  • Tumor Data

Superlist Classification Code

  • Overall Carcinogenic Evaluation: Group 3
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Names and Synonyms

Name of Substance

  • 1,5-Naphthalenediamine

Synonyms

  • 1,5-Diaminonaphthalene
  • 1,5-Naphthalenediamine
  • 1,5-Naphthylenediamine
  • 1,5-Napthalenediamine
  • 4-13-00-00340 (Beilstein Handbook Reference)
  • BRN 0907947
  • CCRIS 422
  • EC 218-817-8
  • EINECS 218-817-8
  • HSDB 4118
  • NCI-C03021
  • NSC 401110
  • UNII-13PD3J52LK

Systematic Names

  • 1,5-Naphthalenediamine
  • 1,5-Naphthylenediamine

Superlist Name

  • 1,5-Naphthalenediamine

Registry Numbers

CAS Registry Number

  • 2243-62-1

FDA UNII

  • 13PD3J52LK

System Generated Number

  • 0002243621

Structure Descriptors

InChI

1S/C10H10N2/c11-9-5-1-3-7-8(9)4-2-6-10(7)12/h1-6H,11-12H2

InChIKey

KQSABULTKYLFEV-UHFFFAOYSA-N

Smiles

c12c(c(ccc2)N)cccc1N

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 190 deg C   EXP
pKa Dissociation Constant 4.44 (none) 25 EXP
log P (octanol-water) 0.89 (none)   EXP
Water Solubility 380 mg/L 25 EXP
Vapor Pressure 2.93E-05 mm Hg 25 EST
Henry's Law Constant 6.57E-11 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 2.00E-10 cm3/molecule-sec 25 EST

Physical property data is provided to ChemIDplus by SRC, Inc.