1,3-Propanediol, 2-((2-chrysenylmethyl)amino)-2-methyl-

HCID 150412CAS 96403-58-6
Substructure searchFind similar structures

Basic information

Standard SMILES
CC(CO)(CO)NCc1ccc2c(ccc3c4ccccc4ccc23)c1
InChIKey
PJCYKASYTLUHDZ-UHFFFAOYSA-N
Molecular formula
C23H23NO2
Average molar mass
345.4 g/mol
Monoisotopic mass
345.17287898

Names & identifiers

Preferred name
1,3-Propanediol, 2-((2-chrysenylmethyl)amino)-2-methyl-
IUPAC
2-(chrysen-2-ylmethylamino)-2-methylpropane-1,3-diol
English name
1,3-Propanediol, 2-((2-chrysenylmethyl)amino)-2-methyl-
Molecular formula
C23H23NO2
Molecular weight
0

Names & synonyms

96403-58-61,3-Propanediol, 2-((2-chrysenylmethyl)amino)-2-methyl-2-((2-Chrysenylmethyl)amino)-2-methyl-1,3-propanediolCHEMBL62189SCHEMBL10484245DTXSID502422312-{[(CHRYSEN-2-YL)METHYL]AMINO}-2-METHYLPROPANE-1,3-DIOL

Database identifiers

CAS
96403-58-6
PubChem CID
150412
DTXSID
DTXSID50242231
ChEMBL
CHEMBL62189
Nikkaji
J423.658K

Properties

Computed structural properties

XLogP
3.9
Topological polar surface area
52.5 Ų
Hydrogen bond donors
3
Hydrogen bond acceptors
3
Rotatable bonds
5
Heavy atoms
26

Chemistry & industry

Suppliers1 total

HONEST JOY HOLDINGS LIMITED[email protected]

Related reactions

1 records
New reaction record

Linked notes

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