Nicarbazin
Properties
- Molecular formula
- C19H18N6O6
- Molar mass
- 426.39 g/mol
- Exact mass
- 426.1288 Da
- Density
- 0.5 g/mL
- Melting point
- 265–267 °C
- Water solubility
- practically insoluble
- logP
- 3.95Crippen estimate
- Polar surface area
- 173.4 Ų
- H-bond donors / acceptors
- 3 / 8
- Rotatable bonds
- 4
Hazards
Warning
- H315 Causes skin irritation95.6% of notifiers
- H319 Causes serious eye irritation95.6% of notifiers
- H335 May cause respiratory irritation95.6% of notifiers
Aggregated from 45 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501
Identifiers
CAS number
330-95-0SMILES
Cc1cc(C)nc(O)n1.O=C(Nc1ccc([N+](=O)[O-])cc1)Nc1ccc([N+](=O)[O-])cc1InChIKey
UKHWDRMMMYWSFL-UHFFFAOYSA-NInChI
InChI=1S/C13H10N4O5.C6H8N2O/c18-13(14-9-1-5-11(6-2-9)16(19)20)15-10-3-7-12(8-4-10)17(21)22;1-4-3-5(2)8-6(9)7-4/h1-8H,(H2,14,15,18);3H,1-2H3,(H,7,8,9)Weigh it out
Type any one amount. The others follow from the molar mass and density.
Names and synonyms
12 names
- Urea, N,N′-bis(4-nitrophenyl)-, compd. with 4,6-dimethyl-2(1H)-pyrimidinone (1:1)
- Carbanilide, 4,4′-dinitro-, compd. with 4,6-dimethyl-2-pyrimidinol (1:1)
- Carbanilide, 4,4′-dinitro-, compd. with 4,6-dimethyl-2-pyrimidinol
- 2-Pyrimidinol, 4,6-dimethyl-, compd. with 4,4′-dinitrocarbanilide (1:1)
- 2-Pyrimidinol, 4,6-dimethyl-, compd. with 4,4′-dinitrocarbanilide
- Nicoxin
- Nicarbazine
- Nicarb
- MK 75
- Nicrazin
- Nicrazine
- NSC 7171
Work with Nicarbazin
Stereoisomers, salts and isotopologues
The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.
Similar compounds
4,4'-Dinitrophenylcarbazide622-69-547 % similar
N-Methyl-4-nitroaniline100-15-244 % similar
4′-Nitrobenzanilide3393-96-243 % similar
N-(4-Nitrophenyl)thiourea3696-22-842 % similar
L-Alanine-4-nitroanilide hydrochloride31796-55-141 % similar
2-Methyl-6-nitroquinoline613-30-940 % similar
Leucine p-nitroanilide4178-93-240 % similar
2-Methyl-4-nitrobenzoic acid1975-51-540 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.