Completing data — refresh the page later to see the latest
Basic information
- CAS
51685-33-7- Standard SMILES
CN1CCN(c2c([N+](=O)[O-])c(=O)oc3ccccc23)CC1- InChIKey
YENAYOJVUHVETP-UHFFFAOYSA-N- Molecular formula
- C14H15N3O4
- Average molar mass
- 289.29 g/mol
- Monoisotopic mass
- 289.10625597
Names & identifiers
- Preferred name
- Coumarin, 4-(4-methyl-1-piperazinyl)-3-nitro-
- IUPAC
- 4-(4-methylpiperazin-1-yl)-3-nitrochromen-2-one
Names & synonyms
51685-33-74-(4-Methylpiperazin-1-yl)-3-nitro-2H-chromen-2-oneCOUMARIN, 4-(4-METHYL-1-PIPERAZINYL)-3-NITRO-4-(4-METHYL-(PIPERAZIN-1-YL))-3-NITROCOUMARINBRN 08956814-(4-Methyl-1-piperazinyl)-3-nitrocoumarinOprea1_107737DTXSID30199638AKOS0006362843-nitro-4-(N-methylpiperazino)-coumarinEU-0033574ST50989356
Show more names
4-(4-methylpiperazinyl)-3-nitrochromen-2-oneAH-034/32475050SR-01000390138SR-01000390138-13-nitro-4-(4-methyl-1-piperazinyl)-2H-chromen-2-one4-(4-Methylpiperazin-1-yl)-3-nitro-2H-1-benzopyran-2-one
Database identifiers
- CAS
51685-33-7- PubChem CID
- 40083
- DTXSID
DTXSID30199638- Nikkaji
- J67.696I
Properties
Computed structural propertiesFilling in
- XLogP
- 1.6
- Topological polar surface area
- 78.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 1
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 477
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…