Basic information
- CAS
716307-20-9- Standard SMILES
COc1c(O)ccc(CCC(C)N)c1O- InChIKey
WBQUYALZWHUJGY-UHFFFAOYSA-N- Molecular formula
- C11H17NO3
- Average molar mass
- 211.26 g/mol
- Monoisotopic mass
- 211.1208434
Names & identifiers
- Preferred name
- 4-(3-Aminobutyl)-2-methoxybenzene-1,3-diol
- IUPAC
- 4-(3-aminobutyl)-2-methoxybenzene-1,3-diol
- English name
- 1,3-Benzenediol, 4-(3-aminobutyl)-2-methoxy- (9CI)
- Molecular formula
- C11H17NO3
- Molecular weight
- 211.26
Names & synonyms
716307-20-94-(3-aminobutyl)-2-methoxybenzene-1,3-diolDB-2674431,3-BENZENEDIOL, 4-(3-AMINOBUTYL)-2-METHOXY-1,3-Benzenediol, 4-(3-aminobutyl)-2-methoxy- (9CI)
Database identifiers
- CAS
716307-20-9- PubChem CID
- 45093212
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 75.7 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 189
Chemistry & industry
Suppliers1 total
CHEMSTEP[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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