Basic information
- CAS
86154-34-9- Standard SMILES
CN(C)CCCN(CCCN(C)C)CCC(=O)N1CN(C(=O)CCN(CCCN(C)C)CCCN(C)C)CN(C(=O)CCN(CCCN(C)C)CCCN(C)C)C1- InChIKey
VWRMZRWDJPPJTE-UHFFFAOYSA-N- Molecular formula
- C42H90N12O3
- Average molar mass
- 811.2 g/mol
- Monoisotopic mass
- 810.72588478
Names & identifiers
- Preferred name
- 1,3,5-Tris(3-(bis(3-(dimethylamino)propyl)amino)-1-oxopropyl)hexahydro-1,3,5-triazine
- IUPAC
- 1-[3,5-bis[3-[bis[3-(dimethylamino)propyl]amino]propanoyl]-1,3,5-triazinan-1-yl]-3-[bis[3-(dimethylamino)propyl]amino]propan-1-one
- English name
- 1,3,5-tris[3-[bis[3-(dimethylamino)propyl]amino]-1-oxopropyl]hexahydro-1,3,5-triazine
- Molecular formula
- C42H90N12O3
- Molecular weight
- 811.24
Names & synonyms
EINECS 289-196-986154-34-91,3,5-Tris(3-(bis(3-(dimethylamino)propyl)amino)-1-oxopropyl)hexahydro-1,3,5-triazineDTXSID70235423VWRMZRWDJPPJTE-UHFFFAOYSA-NNS000651921,1',1''-(1,3,5-Triazinane-1,3,5-triyl)tris(3-{bis[3-(dimethylamino)propyl]amino}propan-1-one)1,3,5-tris[3-[bis[3-(dimethylamino)propyl]amino]-1-oxopropyl]hexahydro-1,3,5-triazine1,3,5-Triazine, 1,3,5-tris[3-[bis[3-(dimethylamino)propyl]amino]-1-oxopropyl]hexahydro- (9CI)
Database identifiers
- CAS
86154-34-9- PubChem CID
- 11971024
- DTXSID
DTXSID70235423- EC Number
- 289-196-9
- Nikkaji
- J333.936J
Properties
Computed structural properties
- XLogP
- 1.1
- Topological polar surface area
- 90.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 12
- Rotatable bonds
- 33
- Heavy atoms
- 57
- Formal charge
- 0
- Complexity
- 879
Physicochemical properties
- Boiling point
- 840.7 · 840.7±65.0 °C(Predicted)
- Density
- 1.035 · 1.035±0.06 g/cm3(Predicted)
- pka
- 10.34 · 10.34±0.28(Predicted)
Chemistry & industry
Suppliers1 total
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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