Basic information
- CAS
92751-09-2- Standard SMILES
NCCCNC(CO)(CO)CO- InChIKey
USBRHBQQPXIKCE-UHFFFAOYSA-N- Molecular formula
- C7H18N2O3
- Average molar mass
- 178.23 g/mol
- Monoisotopic mass
- 178.13174244
Names & identifiers
- Preferred name
- 1,3-Propanediol, 2-[(3-aminopropyl)amino]-2-(hydroxymethyl)-
- IUPAC
- 2-(3-aminopropylamino)-2-(hydroxymethyl)propane-1,3-diol
Names & synonyms
92751-09-21,3-Propanediol, 2-[(3-aminopropyl)amino]-2-(hydroxymethyl)-DTXSID703323002-[(3-AMINOPROPYL)AMINO]-2-(HYDROXYMETHYL)PROPANE-1,3-DIOL
Database identifiers
- CAS
92751-09-2- PubChem CID
- 449203
- DTXSID
DTXSID70332300
Properties
Computed structural properties
- XLogP
- -3
- Topological polar surface area
- 98.7 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 7
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 98.6
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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