Basic information
- CAS
63982-51-4- Standard SMILES
CNC(=O)Oc1c([N+](=O)[O-])cc([N+](=O)[O-])c2ccccc12- InChIKey
NKULZUFWPVMHTQ-UHFFFAOYSA-N- Molecular formula
- C12H9N3O6
- Average molar mass
- 291.22 g/mol
- Monoisotopic mass
- 291.04913502
Names & identifiers
- Preferred name
- Carbamic acid, methyl-, 2,4-dinitro-1-naphthyl ester
- IUPAC
- (2,4-dinitronaphthalen-1-yl) N-methylcarbamate
- English name
- N-Methylcarbamic acid 2,4-dinitro-1-naphtyl ester
- Molecular formula
- C12H9N3O6
- Molecular weight
- 291.22
Names & synonyms
TL-109663982-51-4CARBAMIC ACID, METHYL-, 2,4-DINITRO-1-NAPHTHYL ESTERDTXSID60213896NSC 127877RefChem:332532DTXCID90136387NSC1278772,4-dinitronaphthalen-1-yl methylcarbamateNSC-1278771-Naphthalenol,4-dinitro-, methylcarbamate (ester)N-Methylcarbamic acid 2,4-dinitro-1-naphtyl ester
Show more names
1-Naphthalenol, 2,4-dinitro-, methylcarbamate (ester) (9CI)
Database identifiers
- CAS
63982-51-4- PubChem CID
- 46124
- DTXSID
DTXSID60213896- Nikkaji
- J69.335I
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 130 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 2
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 432
Physicochemical properties
- Boiling point
- 468.3 · 468.3±45.0 °C(Predicted)
- Density
- 1.503 · 1.503±0.06 g/cm3(Predicted)
- pka
- 10.02 · 10.02±0.46(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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