7-Nitro-1,3,5-triazaadamantane
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Basic information
- CAS
14612-28-3- Standard SMILES
O=[N+]([O-])C12CN3CN(CN(C3)C1)C2- InChIKey
LPPLVTOEOMJNPS-UHFFFAOYSA-N- Molecular formula
- C7H12N4O2
- Average molar mass
- 184.2 g/mol
- Monoisotopic mass
- 184.09602562
Overview
structure in first source
Names & identifiers
- Preferred name
- 7-Nitro-1,3,5-triazaadamantane
- IUPAC
- 7-nitro-1,3,5-triazatricyclo[3.3.1.13,7]decane
Names & synonyms
7-Nitro-1,3,5-triazaadamantaneRefChem:106410LPPLVTOEOMJNPS-UHFFFAOYSA-N14612-28-37-nitro-1,3,5-triazatricyclo[3.3.1.1~3,7~]decane7-nitro-1,3,5-triazatricyclo[3.3.1.13,7]decane7-Nitro-1,3,5-triazatricyclo[3.3.1.1(3,7)]decaneMFCD004644681,3,5-triazatricyclo[3.3.1.1~3,7~]decane, 7-nitro-7-NITRO-1,3,5-TRIAZATRICYCLO[3.3.1.1(3),?]DECANEOprea1_278817Oprea1_771237
Show more names
SCHEMBL48287391,3,5-Triaza-7-nitroadamantaneDTXSID301037017ALBB-025924STK395411AKOS000538739LS-08731CS-0318518
Database identifiers
- CAS
14612-28-3- PubChem CID
- 535540
- DTXSID
DTXSID301037017- Nikkaji
- J1.640.202H、J2.715.603G
Properties
Computed structural propertiesFilling in
- XLogP
- -0.4
- Topological polar surface area
- 55.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 0
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 220
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Related reactions
2 records
Compound notes
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