1,8-Diaminonaphthalene
Properties
- Molecular formula
- C10H10N2
- Molar mass
- 158.20 g/mol
- Exact mass
- 158.0844 Da
- Melting point
- 66.5 °C
- Boiling point
- 205 °C
- logP
- 2.00Crippen estimate
- Polar surface area
- 52.0 Ų
- H-bond donors / acceptors
- 2 / 2
- Rotatable bonds
- 0
Hazards
Warning
- H302 Harmful if swallowed99.4% of notifiers
- H317 May cause an allergic skin reaction99.4% of notifiers
- H351 Suspected of causing cancer32.6% of notifiers
- H400 Very toxic to aquatic life66.3% of notifiers
- H410 Very toxic to aquatic life with long lasting effects70.3% of notifiers
Aggregated from 172 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P203, P261, P264, P270, P272, P273, P280, P301+P317, P302+P352, P318, P321, P330, P333+P317, P362+P364, P391, P405, P501
Identifiers
CAS number
479-27-6SMILES
Nc1cccc2cccc(N)c12InChIKey
YFOOEYJGMMJJLS-UHFFFAOYSA-NInChI
InChI=1S/C10H10N2/c11-8-5-1-3-7-4-2-6-9(12)10(7)8/h1-6H,11-12H2Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
4 names
- 1,8-Naphthalenediamine
- 1,8-Naphthylenediamine
- NSC 6081
- 1,8-Diamine naphthaline
Work with 1,8-Diaminonaphthalene
Predict the NMR spectrum1H and 13C shifts with multiplicities
Make a solutionWhat to weigh for any molarity and volume
Check drug-likenessLipinski, Veber and lead-likeness
Boiling point under vacuumAt any pressure, from its normal boiling point
Isotope patternExact mass and the mass spectrum pattern
Similar compounds
8-Bromo-1-naphthalenamine62456-34-268 % similar
1-Naphthylamine134-32-755 % similar
1-Aminopyrene1606-67-354 % similar
Peri acid82-75-752 % similar
Pyrene129-00-050 % similar
O-Phenylenediamine95-54-550 % similar
α-Naphthylamine hydrochloride552-46-548 % similar
Anthramine610-49-148 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.