chempirical

Mhy1485

C17H21N7O4CAS 326914-06-1387.40 g/mol

Open in Covalent MOL file
ONNNNHNN+OO−NO
EtherNitroSecondary amineTertiary amine

Properties

Molecular formula
C17H21N7O4
Molar mass
387.40 g/mol
Exact mass
387.1655 Da
logP
1.20Crippen estimate
Polar surface area
118.8 Ų
H-bond donors / acceptors
1 / 10
Rotatable bonds
5

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
326914-06-1
SMILES
C1COCCN1C2=NC(=NC(=N2)NC3=CC=C(C=C3)[N+](=O)[O-])N4CCOCC4
InChIKey
MSSXBKQZZINCRI-UHFFFAOYSA-N
InChI
InChI=1S/C17H21N7O4/c25-24(26)14-3-1-13(2-4-14)18-15-19-16(22-5-9-27-10-6-22)21-17(20-15)23-7-11-28-12-8-23/h1-4H,5-12H2,(H,18,19,20,21)

Weigh it out

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

Names and synonyms

1 names
  • 4,6-Dimorpholino-N-(4-nitrophenyl)-1,3,5-triazin-2-amine

Work with Mhy1485

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 Isotope patternExact mass and the mass spectrum pattern

Similar compounds

4-(4-Nitrophenyl)morpholine10389-51-257 % similar 2-Morpholino-5-nitropyridine26820-62-252 % similar 4-(2-Fluoro-4-nitrophenyl)morpholine2689-39-646 % similar 4-Nitrodiphenylamine836-30-644 % similar 1-(4-Nitrophenyl)piperazine6269-89-241 % similar (4-Nitrophenyl)hydrazine100-16-340 % similar 2,4′-Dinitrodiphenylamine612-36-240 % similar 4-(5-Nitropyridin-2-yl)piperazine82205-58-140 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook