1,2-Propanediol, 3-(3,4-dihydro-1(2H)-quinolinyl)-
Basic information
- CAS
100370-05-6- Standard SMILES
OCC(O)CN1CCCc2ccccc21- InChIKey
BWABCSDNVLLIEQ-UHFFFAOYSA-N- Molecular formula
- C12H17NO2
- Average molar mass
- 207.27 g/mol
- Monoisotopic mass
- 207.12592879
Names & identifiers
- Preferred name
- 1,2-Propanediol, 3-(3,4-dihydro-1(2H)-quinolinyl)-
- IUPAC
- 3-(3,4-dihydro-2H-quinolin-1-yl)propane-1,2-diol
Names & synonyms
100370-05-61,2-PROPANEDIOL, 3-(3,4-DIHYDRO-1(2H)-QUINOLINYL)-DTXSID80888787RefChem:412159DTXCID2010280613-(3,4-dihydroquinolin-1(2H)-yl)propane-1,2-diol3-(3,4-dihydro-2H-quinolin-1-yl)propane-1,2-diolSCHEMBL8408274BWABCSDNVLLIEQ-UHFFFAOYSA-NAB00013246-013-(3,4-Dihydro-1(2H)-quinolyl)-1,2-propanediol
Database identifiers
- CAS
100370-05-6- PubChem CID
- 458694
- DTXSID
DTXSID80888787
Properties
Computed structural properties
- XLogP
- 1.1
- Topological polar surface area
- 43.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 198
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Hazard information
Regulatory InformationPMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.
Chemistry & industry
Uses & manufacturing
General Manufacturing Information1,2-Propanediol, 3-(3,4-dihydro-1(2H)-quinolinyl)-: ACTIVE
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Related reactions
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Compound notes
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