2-Amino-5,6-dihydroxytetralin
Basic information
- CAS
21489-74-7- Standard SMILES
NC1CCc2c(ccc(O)c2O)C1- InChIKey
FSMRTTIHBZCVJG-UHFFFAOYSA-N- Molecular formula
- C10H13NO2
- Average molar mass
- 179.22 g/mol
- Monoisotopic mass
- 179.09462866
Overview
RN given refers to parent cpd without isomeric designation; structure
Names & identifiers
- Preferred name
- 2-Amino-5,6-dihydroxytetralin
- IUPAC
- 6-amino-5,6,7,8-tetrahydronaphthalene-1,2-diol
- English name
- 2-amino-5,6-dihydroxytetralin
- Molecular formula
- C10H13NO2
- Molecular weight
- 179.22
Names & synonyms
21489-74-72-Amino-5,6-dihydroxytetralin5,6-Adtn2-Amino-5,6-dihydroxy-1,2,3,4-tetrahydronaphthalene6-Amino-5,6,7,8-tetrahydro-1,2-naphthalenediolRefChem:9095636-amino-5,6,7,8-tetrahydronaphthalene-1,2-diolCHEMBL1639125,6-Dihydroxy-2-aminotetralinSCHEMBL4263745DTXSID90944085BDBM50028970
Show more names
JOD-173A-5,6-DTN2-Amino-1,2,3,4-tetrahydronaphthalene-5,6-diol2-Amino-1,2,3,4-tetrahydro-5,6-naphthalenediol1,2-Naphthalenediol, 6-amino-5,6,7,8-tetrahydro-
PDSP1_000479PDSP2_000477PD0336096-Amino-5,6,7,8-tetrahydro-naphthalene-1,2-diol
Database identifiers
- CAS
21489-74-7- PubChem CID
- 37631
- DTXSID
DTXSID90944085- ChEMBL
CHEMBL163912- Nikkaji
- J376.261K
Properties
Computed structural properties
- XLogP
- 1
- Topological polar surface area
- 66.5 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 186
Physicochemical properties
- Boiling point
- 367 · 367.0±42.0 °C(Predicted)
- Density
- 1.273 · 1.273±0.06 g/cm3(Predicted)
- pka
- 9.31 · 9.31±0.20(Predicted)
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Related reactions
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Compound notes
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