Basic information
- CAS
96403-63-3- Standard SMILES
CC(CO)(CO)NCc1ccc2ccc3ccccc3c2c1.Cl- InChIKey
MDVSICKXFDJROM-UHFFFAOYSA-N- Molecular formula
- C19H22ClNO2
- Average molar mass
- 331.8 g/mol
- Monoisotopic mass
- 331.1339066
Names & identifiers
- Preferred name
- 1,3-Propanediol, 2-methyl-2-((3-phenanthrenylmethyl)amino)-, hydrochloride
- IUPAC
- 2-methyl-2-(phenanthren-3-ylmethylamino)propane-1,3-diol;hydrochloride
- English name
- 1,3-Propanediol, 2-methyl-2-((3-phenanthrenylmethyl)amino)-, hydrochlo ride
- Molecular formula
- C19H21NO2*ClH
- Molecular weight
- 0
Names & synonyms
1,3-Propanediol, 2-methyl-2-((3-phenanthrenylmethyl)amino)-, hydrochloride96403-63-32-Methyl-2-((3-phenanthrenylmethyl)amino)-1,3-propanediol hydrochlorideDTXSID30242234RefChem:219680DTXCID30164725CHEMBL542631SCHEMBL105473972-Methyl-2-{[(phenanthren-3-yl)methyl]amino}propane-1,3-diol--hydrogen chloride (1/1)1,3-Propanediol, 2-methyl-2-((3-phenanthrenylmethyl)amino)-, hydrochlo ride
Database identifiers
- CAS
96403-63-3- PubChem CID
- 150415
- DTXSID
DTXSID30242234- ChEMBL
CHEMBL542631
Properties
Computed structural properties
- Topological polar surface area
- 52.5 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 355
Chemistry & industry
Suppliers1 total
HONEST JOY HOLDINGS LIMITED[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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