Bis[5-amino-1,1-dimethylhexyl] hydrogen phosphate
Basic information
- CAS
18864-27-2- Standard SMILES
CC(N)CCCC(C)(C)OP(=O)(O)OC(C)(C)CCCC(C)N- InChIKey
TXYNAKWXMMCIKR-UHFFFAOYSA-N- Molecular formula
- C16H37N2O4P
- Average molar mass
- 352.45 g/mol
- Monoisotopic mass
- 352.24909466
Names & identifiers
- Preferred name
- Bis[5-amino-1,1-dimethylhexyl] hydrogen phosphate
- IUPAC
- bis(6-amino-2-methylheptan-2-yl) hydrogen phosphate
- English name
- bis[5-amino-1,1-dimethylhexyl] hydrogen phosphate
- Molecular formula
- C16H37N2O4P
- Molecular weight
- 352.449741
Names & synonyms
18864-27-2BIS[5-AMINO-1,1-DIMETHYLHEXYL] HYDROGEN PHOSPHATEbis(6-amino-2-methylheptan-2-yl) hydrogen phosphateBis(5-amino-1,1-dimethylhexyl) hydrogen phosphateEINECS 242-634-2DTXSID60940372TXYNAKWXMMCIKR-UHFFFAOYSA-NNS00047526Phosphoric acid hydrogen di(5-amino-1,1-dimethylhexyl) ester
Database identifiers
- CAS
18864-27-2- PubChem CID
- 86797
- DTXSID
DTXSID60940372- EC Number
- 242-634-2
- Nikkaji
- J224.796H
Properties
Computed structural properties
- XLogP
- -0.9
- Topological polar surface area
- 108 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 12
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 356
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Compound notes
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