Basic information
- CAS
10171-78-5- Standard SMILES
CC(N)CNCCCO- InChIKey
PKPINSQODSMJFH-UHFFFAOYSA-N- Molecular formula
- C6H16N2O
- Average molar mass
- 132.2 g/mol
- Monoisotopic mass
- 132.12626314
Names & identifiers
- Preferred name
- 1,2-Propanediamine, N-(3-hydroxypropyl)-
- IUPAC
- 3-(2-aminopropylamino)propan-1-ol
- English name
- 3-[(2-Aminopropyl)amino]-1-propanol
- Molecular formula
- C6H16N2O
- Molecular weight
- 132.2
Names & synonyms
N-(3-Hydroxypropyl)-1,2-propanediamine10171-78-51,2-Propanediamine, N-(3-hydroxypropyl)-RefChem:2164203-(2-aminopropylamino)propan-1-ol3-[(2-aminopropyl)amino]propan-1-ol3-[(2-Aminopropyl)amino]-1-propanolSCHEMBL7948204DTXSID809065161-Propanol, 3-[(2-aminopropyl)amino]-
Database identifiers
- CAS
10171-78-5- PubChem CID
- 112017
- DTXSID
DTXSID80906516- Nikkaji
- J35.463E
Properties
Computed structural properties
- XLogP
- -1
- Topological polar surface area
- 58.3 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 59
Physicochemical properties
- Boiling point
- 244.15 °C · 244.15°C (rough estimate)
- Density
- 1.0004 · 1.0004 (rough estimate)
- refractive index
- 1.438 · 1.4380 (estimate)
- pka
- 15.03 · 15.03±0.10(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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