Dimethyl 5-aminocyclohexane-1,3-dicarboxylate
Basic information
- CAS
313683-57-7- Standard SMILES
COC(=O)C1CC(N)CC(C(=O)OC)C1- InChIKey
MJFSLXMVQQOYMI-UHFFFAOYSA-N- Molecular formula
- C10H17NO4
- Average molar mass
- 215.25 g/mol
- Monoisotopic mass
- 215.11575802
Names & identifiers
- Preferred name
- Dimethyl 5-aminocyclohexane-1,3-dicarboxylate
- IUPAC
- dimethyl 5-aminocyclohexane-1,3-dicarboxylate
Names & synonyms
dimethyl 5-aminocyclohexane-1,3-dicarboxylate313683-57-71,3-Cyclohexanedicarboxylic acid, 5-amino-, 1,3-dimethyl ester5-amino-dimethyl isophthalatedimethyl 5-amino-isophthalate5-amino-dimethyl iso-phthalateSCHEMBL5500737DTXSID5011786075-amino isophthalic acid, dimethyl ester5-amino-iso-phthalic acid dimethyl ester
Database identifiers
- CAS
313683-57-7- PubChem CID
- 22559952
- DTXSID
DTXSID501178607
Properties
Computed structural properties
- XLogP
- -0.1
- Topological polar surface area
- 78.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 230
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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