Basic information
- CAS
296790-01-7- Standard SMILES
Nc1nonc1-c1nc2ccccc2n1CC(=O)O- InChIKey
VFLJHDYRDURZEP-UHFFFAOYSA-N- Molecular formula
- C11H9N5O3
- Average molar mass
- 259.22 g/mol
Names & identifiers
- Preferred name
- [2-(4-Amino-furazan-3-yl)-benzoimidazol-1-yl]-acetic acid
- IUPAC
- 2-[2-(4-amino-1,2,5-oxadiazol-3-yl)benzimidazol-1-yl]acetic acid
- English name
- [2-(4-Amino-furazan-3-yl)-benzoimidazol-1-yl]-acetic acid
- Molecular formula
- C11H9N5O3
- Molecular weight
- 259.22
Names & synonyms
296790-01-7[2-(4-Amino-furazan-3-yl)-benzoimidazol-1-yl]-acetic acid2-(2-(4-Amino-1,2,5-oxadiazol-3-yl)-1H-benzo[d]imidazol-1-yl)acetic acid2-[2-(4-amino-1,2,5-oxadiazol-3-yl)benzimidazol-1-yl]acetic acidMLS000067382[2-(4-amino-1,2,5-oxadiazol-3-yl)-1H-benzimidazol-1-yl]acetic acidOprea1_505961Oprea1_793401SCHEMBL1900960CHEMBL1337565HMS2479E22MFCD01066337
Show more names
1-(CARBOXYMETHYL)-2-(1,2,5-OXADIAZOL-3-AMINO-4-YL)-BENZIMIDAZOLE1H-Benzimidazole-1-acetic acid, 2-(4-amino-1,2,5-oxadiazol-3-yl)-
AKOS000291413AT32864SMR000124843CS-0328084ST50269655UNM000000497001AG-205/11559251AG-205/12762210
Database identifiers
- CAS
296790-01-7- ChEMBL
CHEMBL1337565
Properties
Computed structural properties
- XLogP
- 0.3
- Topological polar surface area
- 120 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 3
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 355
Physicochemical properties
- Boiling point
- 595.8 · 595.8±60.0 °C(Predicted)
- Density
- 1.76 · 1.76±0.1 g/cm3(Predicted)
- pka
- 3.59 · 3.59±0.10(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
- Hazard Codes
- Xi
- HazardClass
- IRRITANT
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_code
- Xi
- hazard_class
- IRRITANT
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Suppliers2 total
武汉凯威斯科技有限公司86-027-67849912 · [email protected]
Jilin Chinese Academy of Sciences-yanshen Technology18143011203 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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