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

HCID 150406
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Basic information

CAS
96403-24-6
Standard SMILES
CC(CO)(CO)NCc1ccc2ccc3c4ccccc4ccc3c2c1
InChIKey
OJGHEHHLQPMKAF-UHFFFAOYSA-N
Molecular formula
C23H23NO2
Average molar mass
345.4 g/mol
Monoisotopic mass
345.17287898

Names & identifiers

Preferred name
1,3-Propanediol, 2-((3-chrysenylmethyl)amino)-2-methyl-
IUPAC
2-(chrysen-3-ylmethylamino)-2-methylpropane-1,3-diol

Names & synonyms

1,3-Propanediol, 2-((3-chrysenylmethyl)amino)-2-methyl-96403-24-62-((3-Chrysenylmethyl)amino)-2-methyl-1,3-propanediolCHEMBL59618SCHEMBL10484338DTXSID002422262-{[(chrysen-3-yl)methyl]amino}-2-methylpropane-1,3-diol

Database identifiers

CAS
96403-24-6
PubChem CID
150406
DTXSID
DTXSID00242226
ChEMBL
CHEMBL59618
Nikkaji
J423.659I

Properties

Computed structural propertiesFilling in

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

Related reactions

1 records
New reaction record

Compound notes

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CAS 96403-24-6 1,3-Propanediol, 2-((3-chrysenylmethyl)amino)-2-methyl- (HCID 150406)｜Huagongshe