Basic information
- CAS
959032-57-6- Standard SMILES
O=C(O)CCCCc1cnc[nH]1- InChIKey
AARXMLGCTGYZTD-UHFFFAOYSA-N- Molecular formula
- C8H12N2O2
- Average molar mass
- 168.19 g/mol
- Monoisotopic mass
- 168.08987763
Names & identifiers
- Preferred name
- 5-(1H-Imidazol-5-yl)pentanoic acid
- IUPAC
- 5-(1H-imidazol-5-yl)pentanoic acid
- English name
- 1H-Imidazole-5-pentanoic acid
- Molecular formula
- C8H12N2O2
- Molecular weight
- 168.19
Names & synonyms
959032-57-65-(1H-Imidazol-4-yl)pentanoic acid5-(1H-Imidazol-5-yl)pentanoic acid1H-IMIDAZOLE-5-PENTANOIC ACIDImidazole-5-pentanoic acidimidazol-4-valeric acidSCHEMBL291231CHEMBL1789636SCHEMBL18912320DTXSID40340538AARXMLGCTGYZTD-UHFFFAOYSA-NAKOS006290753
Show more names
5-(1H-Imidazol-5-yl)pentanoic acid #DB-345735EN300-7564037
Database identifiers
- CAS
959032-57-6- PubChem CID
- 565485
- DTXSID
DTXSID40340538- ChEMBL
CHEMBL1789636
Properties
Computed structural properties
- XLogP
- 0.6
- Topological polar surface area
- 66 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 150
Physicochemical properties
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H312-H332
- Precautionary statements
- 261 · P261-P264-P270-P271-P280-P301+P312-P302+P352-P304+P340-P330-P363-P501
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-H312-H332
- Precautionary statements
- P261-P264-P270-P271-P280-P301+P312-P302+P352-P304+P340-P330-P363-P501
Chemistry & industry
Suppliers1 total
CHEMSTEP[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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