HC Red 13

C10H16ClN3O4CAS 94158-13-1277.70 g/mol

HClH2NNOHOHN+OO−
AlcoholNitroPrimary amineTertiary amine

Properties

Molecular formula
C10H16ClN3O4
Molar mass
277.70 g/mol
Exact mass
277.0829 Da
logP
0.39Crippen estimate
Polar surface area
112.9 Ų
H-bond donors / acceptors
3 / 6
Rotatable bonds
6

Hazards

Danger
Irritant (GHS07)Health Hazard (GHS08)

Aggregated from 47 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P260, P261, P264, P264+P265, P270, P271, P272, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P333+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
94158-13-1
SMILES
Cl.Nc1ccc(N(CCO)CCO)cc1[N+](=O)[O-]
InChIKey
ASAQRGCLIPUSEK-UHFFFAOYSA-N
InChI
InChI=1S/C10H15N3O4.ClH/c11-9-2-1-8(7-10(9)13(16)17)12(3-5-14)4-6-15;/h1-2,7,14-15H,3-6,11H2;1H

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

2 names
  • Ethanol, 2,2′-[(4-amino-3-nitrophenyl)imino]bis-, monohydrochloride
  • HC red no. 13

Work with HC Red 13

Similar compounds

Tanimoto similarity of circular fingerprints over the whole catalogue.

Elsewhere