Basic information
- CAS
215229-17-7- Standard SMILES
NC1(C(=O)O)CCC(C(=O)O)CC1- InChIKey
JDQXFBXJCBUSRJ-UHFFFAOYSA-N- Molecular formula
- C8H13NO4
- Average molar mass
- 187.19 g/mol
- Monoisotopic mass
- 187.0844579
Names & identifiers
- Preferred name
- 1-Aminocyclohexane-1,4-dicarboxylic acid
- IUPAC
- 1-aminocyclohexane-1,4-dicarboxylic acid
- English name
- 1-Amino-cyclohexane-1,4-dicarboxylic acid
- Molecular formula
- C8H13NO4
- Molecular weight
- 187.19
Names & synonyms
1-aminocyclohexane-1,4-dicarboxylic acid215229-17-7MFCD013182261-Amino-cyclohexane-1,4-dicarboxylic acidNSC619576CHEMBL1999933SCHEMBL27595459DTXSID50326863AKOS006344467NSC-6195761-Amino-1,4-cyclohexanedicarboxylicacid1-aminocyclohexane-1,4-dicarboxylicacid
Show more names
NSC 6195761-Amino-1,4-cyclohexanedicarboxylic acid1,4-Cyclohexanedicarboxylic acid, 1-amino-1,4-Cyclohexanedicarboxylicacid,1-amino-(9CI)1-AMINO-CYCLOHEXANE-1,4-DICARBOXYLIC ACID, CIS-, TRANS- MIXTURE
DA-17769NCI60_005787
Database identifiers
- CAS
215229-17-7- PubChem CID
- 359074
- DTXSID
DTXSID50326863- ChEMBL
CHEMBL1999933- Nikkaji
- J2.367.249I
Properties
Computed structural properties
- XLogP
- -2.5
- Topological polar surface area
- 101 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 230
Physicochemical properties
- Boiling point
- 413.5 · 413.5±45.0 °C(Predicted)
- Density
- 1.366 · 1.366±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- pka
- 2.8 · 2.80±0.44(Predicted)
- Risk Statements
- 36 · 36/37/38
- Safety Statements
- 26 · 26-36/37/39
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- risk_code
- 36/37/38
- safety_code
- 26-36/37/39
Chemistry & industry
Suppliers2 total
江苏艾康生物医药研发有限公司025-66113011 13913916777 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…