1,8-Diamino-9,10-anthracenedione

HCID 8511CAS 129-42-0

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Basic information

Standard SMILES: Nc1cccc2c1C(=O)c1c(N)cccc1C2=O
InChIKey: QWXDVWSEUJXVIK-UHFFFAOYSA-N
Molecular formula: C14H10N2O2
Average molar mass: 238.24 g/mol
Monoisotopic mass: 238.07422756

Overview

structure in first source

Names & identifiers

Preferred name: 1,8-Diamino-9,10-anthracenedione
IUPAC: 1,8-diaminoanthracene-9,10-dione
English name: 1,8-diaminoanthraquinone
Molecular formula: C14H10N2O2
Molecular weight: 238.24

Names & synonyms

1,8-DIAMINOANTHRAQUINONE129-42-09,10-Anthracenedione, 1,8-diamino-Anthraquinone, 1,8-diamino-LN6MQU5K4DNSC-121231,8-Diamino-9,10-anthracenedioneDTXSID10883321RefChem:907062DTXCID801022859204-945-11,8-diaminoanthracene-9,10-dione

Show more names

1,8-diaminoanthrachinon1,8-diamino-anthraquinon1,8-Diamino-9,10-anthraquinone10-Anthracenedione, 1,8-diamino-91,8-bis(azanyl)anthracene-9,10-dione

1,8-Anthraquinonyldiamine58037-70-09,10-Anthracenedione, 1,?-diamino-1,8-Diaminoanthrachinon [Czech]EINECS 204-945-1NSC 12123BRN 28100959,10-Anthracenedione,1,8-diamino-

Database identifiers

CAS: 129-42-0、58037-70-0
PubChem CID: 8511
DTXSID: DTXSID10883321
UNII: LN6MQU5K4D
EC Number: 204-945-1
Nikkaji: J55.389A

Properties

Computed structural properties

XLogP: 2.1
Topological polar surface area: 86.2 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 4
Rotatable bonds: 0
Heavy atoms: 18
Formal charge: 0
Complexity: 350

Physicochemical properties

Melting point: 265 °C · 265°C
Boiling point: 380.84 °C · 380.84°C (rough estimate)
Density: 1.1907 · 1.1907 (rough estimate)
refractive index: 1.757 · 1.7570 (estimate)
FDA UNII: 6 MQU5K4D · LN6MQU5K4D
EPA Substance Registry System: 9 · 9,10-Anthracenedione, 1,8-diamino- (129-42-0)
TSCA: TSCA listed