Basic information
- CAS
1270458-33-7- Standard SMILES
CCCC(N)c1cc(O)ccc1N- InChIKey
RCNULFYPIMXGLO-UHFFFAOYSA-N- Molecular formula
- C10H16N2O
- Average molar mass
- 180.25 g/mol
- Monoisotopic mass
- 180.12626314
Names & identifiers
- Preferred name
- Phenol, 4-amino-3-(1-aminobutyl)-
- IUPAC
- 4-amino-3-(1-aminobutyl)phenol
Names & synonyms
Phenol, 4-amino-3-(1-aminobutyl)-4-amino-3-(1-aminobutyl)phenolDTXSID401300037AKOS0063446631270458-33-7
Database identifiers
- CAS
1270458-33-7- PubChem CID
- 55282944
- DTXSID
DTXSID401300037
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 72.3 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 152
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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