Basic information
- CAS
32516-05-5- Standard SMILES
CC(=O)N1CN2CN(C1)CN(C(C)=O)C2- InChIKey
BUPCSJIRCTYAHP-UHFFFAOYSA-N- Molecular formula
- C9H16N4O2
- Average molar mass
- 212.25 g/mol
- Monoisotopic mass
- 212.12732577
Names & identifiers
- Preferred name
- 3,7-Diacetyl-1,3,5,7-tetraazabicyclo(3.3.1)nonane
- IUPAC
- 1-(7-acetyl-1,3,5,7-tetrazabicyclo[3.3.1]nonan-3-yl)ethanone
- English name
- 1,1'-(1,3,5,7-tetraazabicyclo[3.3.1]nonane-3,7-diyl)diethanone
- Molecular formula
- C9H16N4O2
- Molecular weight
- 212.25
Names & synonyms
32516-05-53,7-Diacetyl-1,3,5,7-tetraazabicyclo(3.3.1)nonane3,7-Diacetyl-1,3,5,7-tetraazabicyclo[3.3.1]nonaneE08Z9H4BZP1,3,5,7-Tetraazabicyclo[3.3.1]nonane, 3,7-diacetyl-EINECS 251-077-4UNII-E08Z9H4BZPNSC 281710NSC-2817101,3,5,7-Tetraazabicyclo(3.3.1)nonane, 3,7-diacetyl-DTXSID4067692DAPT (EXPLOSIVE INTERMEDIATE)
Show more names
RefChem:91843DTXCID2038524251-077-41,1'-(1,3,5,7-tetraazabicyclo[3.3.1]nonane-3,7-diyl)diethanoneDAPT (VAN)1,1'-(1,3,5,7-Tetraazabicyclo(3.3.1)nonane-3,7-diyl)diethanoneNSC281710Oprea1_578800
Database identifiers
- CAS
32516-05-5- PubChem CID
- 100288
- DTXSID
DTXSID4067692- ChEMBL
CHEMBL1418022- UNII
- E08Z9H4BZP
- EC Number
- 251-077-4
- Nikkaji
- J319.393D
Properties
Computed structural properties
- XLogP
- -0.7
- Topological polar surface area
- 47.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 0
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 254
Physicochemical properties
- FDA UNII
- 8 Z9H4BZP · E08Z9H4BZP
- EPA Substance Registry System
- 1 · 1,3,5,7-Tetraazabicyclo[3.3.1]nonane, 3,7-diacetyl- (32516-05-5)
- TSCA
- TSCA listed
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
General Manufacturing Information1,3,5,7-Tetraazabicyclo[3.3.1]nonane, 3,7-diacetyl-: INACTIVE
Upstream & downstream products
Downstream products
Suppliers1 total
Interbioscreen Ltd.[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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