Completing data — usually done within a minute
Basic information
- CAS
38332-12-6- Standard SMILES
NC1C(O)CCCC1O- InChIKey
MNLZNJPXUJURMD-UHFFFAOYSA-N- Molecular formula
- C6H13NO2
- Average molar mass
- 131.17 g/mol
- Monoisotopic mass
- 131.09462866
Names & identifiers
- Preferred name
- 2-Aminocyclohexane-1,3-diol
- IUPAC
- 2-aminocyclohexane-1,3-diol
Names & synonyms
2-aminocyclohexane-1,3-diol2753-42-61,3-Cyclohexanediol, 2-amino-NSC2644052-amino-cyclohexane-1,3-diolSCHEMBL5443624SCHEMBL11882855DTXSID80959244MNLZNJPXUJURMD-UHFFFAOYSA-NNBA33212AKOS006349124NSC-264405
Show more names
rel-(1r,2R,6S)-2-aminocyclohexane-1,3-diolrac-(1R,2R,3S)-2-Aminocyclohexane-1,3-diol
Database identifiers
- CAS
38332-12-6- PubChem CID
- 319670
- DTXSID
DTXSID80959244
Properties
Computed structural propertiesFilling in
- XLogP
- -1
- Topological polar surface area
- 66.5 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 87.1
Related reactions
4 records
Compound notes
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