5-Amino-2,4-dihydroxy-alpha-methylphenylethylamine
Basic information
- CAS
106868-44-4- Standard SMILES
CC(N)Cc1cc(N)c(O)cc1O- InChIKey
PSMUOMKJPAJKEZ-UHFFFAOYSA-N- Molecular formula
- C9H14N2O2
- Average molar mass
- 182.22 g/mol
- Monoisotopic mass
- 182.10552769
Names & identifiers
- Preferred name
- 5-Amino-2,4-dihydroxy-alpha-methylphenylethylamine
- IUPAC
- 4-amino-6-(2-aminopropyl)benzene-1,3-diol
- English name
- 5-amino-2,4-dihydroxy-alpha-methylphenylethylamine
- Molecular formula
- C9H14N2O2
- Molecular weight
- 182.22
Names & synonyms
5-Admp106868-44-45-Amino-2,4-dihydroxy-alpha-methylphenylethylamineRefChem:101920CHEMBL1320124-amino-6-(2-aminopropyl)benzene-1,3-diolDTXSID209101571,3-Benzenediol, 4-amino-6-(2-aminopropyl)-BDBM500313481-(5-amino-2,4-dihydroxyphenyl)-2-aminopropane4-Amino-6-(2-amino-propyl)-benzene-1,3-diol
Database identifiers
- CAS
106868-44-4- PubChem CID
- 129444
- DTXSID
DTXSID20910157- ChEMBL
CHEMBL132012- Nikkaji
- J415.768K
Properties
Computed structural properties
- XLogP
- 0.3
- Topological polar surface area
- 92.5 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 166
Physicochemical properties
- Boiling point
- 400.756 · 400.756±14.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.284 · 1.284±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 9.46 · 9.460±0.25(predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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