N-[(6-nitro-1,3-benzodioxol-5-yl)methyl]cyclohexanamine
Basic information
- CAS
355816-38-5- Standard SMILES
O=[N+]([O-])c1cc2c(cc1CNC1CCCCC1)OCO2- InChIKey
RWRBTLMUPBWPFD-UHFFFAOYSA-N- Molecular formula
- C14H18N2O4
- Average molar mass
- 278.3 g/mol
- Monoisotopic mass
- 278.12665706
Names & identifiers
- Preferred name
- N-[(6-nitro-1,3-benzodioxol-5-yl)methyl]cyclohexanamine
- IUPAC
- N-[(6-nitro-1,3-benzodioxol-5-yl)methyl]cyclohexanamine
Names & synonyms
N-[(6-nitro-1,3-benzodioxol-5-yl)methyl]cyclohexanamine355816-38-5N-Cyclohexyl-6-nitro-1,3-benzodioxole-5-methanamineOprea1_040059Oprea1_419616DTXSID901223353AKOS000546125AG-690/13701768N-[(6-NITRO-2H-1,3-BENZODIOXOL-5-YL)METHYL]CYCLOHEXANAMINE
Database identifiers
- CAS
355816-38-5- PubChem CID
- 775258
- DTXSID
DTXSID901223353
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 76.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 341
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Compound notes
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