Basic information
- CAS
51750-80-2- Standard SMILES
CCCCCCCCCCCCCCC(O)CNCCNCCN- InChIKey
QHQSHYOEXCBEKP-UHFFFAOYSA-N- Molecular formula
- C20H45N3O
- Average molar mass
- 343.6 g/mol
- Monoisotopic mass
- 343.35626306
Names & identifiers
- Preferred name
- 1-({2-[(2-Aminoethyl)amino]ethyl}amino)hexadecan-2-OL
- IUPAC
- 1-[2-(2-aminoethylamino)ethylamino]hexadecan-2-ol
Names & synonyms
51750-80-21-({2-[(2-AMINOETHYL)AMINO]ETHYL}AMINO)HEXADECAN-2-OLSCHEMBL9705667DTXSID40602981N-(2-hydroxy)hexadecyldiethylenetriamine
Database identifiers
- CAS
51750-80-2- PubChem CID
- 20148361
- DTXSID
DTXSID40602981- Nikkaji
- J537.819B
Properties
Computed structural properties
- XLogP
- 5
- Topological polar surface area
- 70.3 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 20
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 227
Related reactions
4 records
Compound notes
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