1-Aminocyclooctane-1-carboxylic acid
Basic information
- CAS
28248-38-6- Standard SMILES
NC1(C(=O)O)CCCCCCC1- InChIKey
PJSQECUPWDUIBT-UHFFFAOYSA-N- Molecular formula
- C9H17NO2
- Average molar mass
- 171.24 g/mol
- Monoisotopic mass
- 171.12592879
Names & identifiers
- Preferred name
- 1-Aminocyclooctane-1-carboxylic acid
- IUPAC
- 1-aminocyclooctane-1-carboxylic acid
- English name
- 1-Amino-1-cyclooctanecarboxylic acid
- Molecular formula
- C9H17NO2
- Molecular weight
- 171.24
Names & synonyms
1-Aminocyclooctanecarboxylic acid28248-38-61-Aminocyclooctane-1-carboxylic acidCyclooctanecarboxylic acid, 1-amino-Q9KAQ2DU4WNSC-22851DTXSID50182502CB-1714RefChem:74898DTXCID201049931-Amino-1-cyclooctanecarboxylic acidCyclooctanecarboxylicacid, 1-amino-
Show more names
1-amino-cyclooctanecarboxylicaci(Z)-1-[4-chloro-5-[(4-fluorophenyl)methyl]-2-furanyl]-3-hydroxy-3-(1H-1,2,4-triazol-5-yl)-2-propen-1-one
1-amino-cyclooctanecarboxylic acidMFCD01318230NSC 22851CB 1714BRN 2086994UNII-Q9KAQ2DU4WSCHEMBL622211-Aminocyclooctanecarboxylicacid
Database identifiers
- CAS
28248-38-6- PubChem CID
- 95194
- DTXSID
DTXSID50182502- UNII
- Q9KAQ2DU4W
- Nikkaji
- J88.554A
Properties
Computed structural properties
- XLogP
- -0.8
- Topological polar surface area
- 63.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 160
Physicochemical properties
- Boiling point
- 305.7 · 305.7±25.0 °C(Predicted)
- Density
- 1.069 · 1.069±0.06 g/cm3(Predicted)
- pka
- 2.58 · 2.58±0.20(Predicted)
- FDA UNII
- 9 KAQ2DU4W · Q9KAQ2DU4W
Related reactions
1 records
Compound notes
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