Basic information
- CAS
82004-90-8- Standard SMILES
CCCNC(C)Cc1ccc(O)c(O)c1- InChIKey
GBUQHQGQYVKEHW-UHFFFAOYSA-N- Molecular formula
- C12H19NO2
- Average molar mass
- 209.28 g/mol
- Monoisotopic mass
- 209.14157885
Overview
intermediate in N-propylamphetamine metabolism; RN given refers to parent cpd; structure given in first source
Names & identifiers
- Preferred name
- 1-(3,4-Dihydroxyphenyl)-2-(n-propylamino)propane
- IUPAC
- 4-[2-(propylamino)propyl]benzene-1,2-diol
- English name
- 1,2-Benzenediol, 4-[2-(propylamino)propyl]- (9CI)
- Molecular formula
- C12H19NO2
- Molecular weight
- 209.28476
Names & synonyms
1,2-Benzenediol, 4-(2-(propylamino)propyl)-1-Dppap82004-90-81-(3,4-Dihydroxyphenyl)-2-(n-propylamino)propane1,2-Benzenediol, 4-[2-(propylamino)propyl]-RefChem:742374-[2-(propylamino)propyl]benzene-1,2-diol1,2-benzenediol,4-[2-(propylamino)propyl]-CHEMBL3302930DB-2787191,2-Benzenediol, 4-[2-(propylamino)propyl]- (9CI)
Database identifiers
- CAS
82004-90-8- PubChem CID
- 133802
- ChEMBL
CHEMBL3302930
Properties
Computed structural properties
- XLogP
- 0.9
- Topological polar surface area
- 52.5 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 175
Chemistry & industry
Suppliers1 total
CHEMSTEP[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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