1,11-Diaminoundecan-6-ol
Basic information
- CAS
5961-00-2- Standard SMILES
NCCCCCC(O)CCCCCN- InChIKey
JSVZYRZGURPUGR-UHFFFAOYSA-N- Molecular formula
- C11H26N2O
- Average molar mass
- 202.34 g/mol
- Monoisotopic mass
- 202.20451346
Names & identifiers
- Preferred name
- 1,11-Diaminoundecan-6-ol
- IUPAC
- 1,11-diaminoundecan-6-ol
- English name
- 1,11-diaminoundecan-6-ol
- Molecular formula
- C11H26N2O
- Molecular weight
- 202.33694
Names & synonyms
1,11-Diaminoundecan-6-ol5961-00-2EINECS 227-733-0SCHEMBL9812329DTXSID00208286JSVZYRZGURPUGR-UHFFFAOYSA-NDB-290946NS000342001,11-Diamino-6-undecanol6-Undecanol, 1,11-diamino-
Database identifiers
- CAS
5961-00-2- PubChem CID
- 80062
- DTXSID
DTXSID00208286- EC Number
- 227-733-0
- Nikkaji
- J223.910H
Properties
Computed structural properties
- XLogP
- 0.6
- Topological polar surface area
- 72.3 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 10
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 97.5
Physicochemical properties
- Boiling point
- 178 · 178-180 °C(Press: 5 Torr)
- Density
- 0.939 · 0.939±0.06 g/cm3(Predicted)
- pka
- 15.19 · 15.19±0.20(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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