Basic information
- CAS
96403-44-0- Standard SMILES
CC(CO)(CO)NCc1ccc2c(c1)-c1cccc3cccc-2c13.Cl- InChIKey
WANZZAXFMJLTCH-UHFFFAOYSA-N- Molecular formula
- C21H22ClNO2
- Average molar mass
- 355.9 g/mol
- Monoisotopic mass
- 355.13390662
Names & identifiers
- Preferred name
- 1,3-Propanediol, 2-((8-fluoranthenylmethyl)amino)-2-methyl-, hydrochloride
- IUPAC
- 2-(fluoranthen-8-ylmethylamino)-2-methylpropane-1,3-diol;hydrochloride
- English name
- 1,3-Propanediol, 2-((8-fluoranthenylmethyl)amino)-2-methyl-, hydrochlo ride
- Molecular formula
- C21H21NO2*ClH
- Molecular weight
- 0
Names & synonyms
96403-44-02-((8-Fluoranthenylmethyl)amino)-2-methyl-1,3-propanediol hydrochloride1,3-Propanediol, 2-((8-fluoranthenylmethyl)amino)-2-methyl-, hydrochlorideDTXSID80242229RefChem:219580DTXCID30164720CHEMBL545683SCHEMBL10490091WANZZAXFMJLTCH-UHFFFAOYSA-N2-{[(Fluoranthen-8-yl)methyl]amino}-2-methylpropane-1,3-diol--hydrogen chloride (1/1)1,3-Propanediol, 2-((8-fluoranthenylmethyl)amino)-2-methyl-, hydrochlo ride
Database identifiers
- CAS
96403-44-0- PubChem CID
- 150409
- DTXSID
DTXSID80242229- ChEMBL
CHEMBL545683
Properties
Computed structural properties
- Topological polar surface area
- 52.5 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 436
Chemistry & industry
Suppliers1 total
HONEST JOY HOLDINGS LIMITED[email protected]
Related reactions
3 records
Compound notes
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