Azelaamic acid
Basic information
- CAS
61798-00-3- Standard SMILES
NC(=O)CCCCCCCC(=O)O- InChIKey
DJKLLZJDRPGBPJ-UHFFFAOYSA-N- Molecular formula
- C9H17NO3
- Average molar mass
- 187.24 g/mol
- Monoisotopic mass
- 187.1208434
Names & identifiers
- Preferred name
- Azelaamic acid
- IUPAC
- 9-amino-9-oxononanoic acid
- English name
- Nonanoic acid,9-amino-9-oxo-
- Molecular formula
- C9H17NO3
- Molecular weight
- 187.23618
Names & synonyms
Azelaamic acid61798-00-3DTXSID90293085RefChem:320277DTXCID002442259-amino-9-oxononanoic acidNonanoic acid,9-amino-9-oxo-8-carbamoyloctanoic acidNonanoic acid, 9-amino-9-oxo-8-carbamoyloctan-saureCompound NP-0246949-amino-9-oxo-nonanoic acid
Show more names
SCHEMBL125909orb3170580NSC87152MFCD20639399NSC-87152AKOS040737026AS-78428D97249
Database identifiers
- CAS
61798-00-3- PubChem CID
- 258338
- DTXSID
DTXSID90293085
Properties
Computed structural properties
- XLogP
- 0.9
- Topological polar surface area
- 80.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 8
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 168
Physicochemical properties
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
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
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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