(3-Ethyl-2-imino-2,3-dihydro-benzoimidazol-1-yl)-acetic acid
Basic information
- CAS
436099-71-7- Standard SMILES
CCn1c(=N)n(CC(=O)O)c2ccccc21- InChIKey
BXHNFDWROQVALT-UHFFFAOYSA-N- Molecular formula
- C11H13N3O2
- Average molar mass
- 219.24 g/mol
- Monoisotopic mass
- 219.10077667
Names & identifiers
- Preferred name
- (3-Ethyl-2-imino-2,3-dihydro-benzoimidazol-1-yl)-acetic acid
- IUPAC
- 2-(3-ethyl-2-iminobenzimidazol-1-yl)acetic acid
- English name
- (3-ETHYL-2-IMINO-2,3-DIHYDRO-BENZOIMIDAZOL-1-YL)-ACETIC ACID
- Molecular formula
- C11H14BrN3O2
- Molecular weight
- 300.16
Names & synonyms
462068-66-2(3-Ethyl-2-imino-2,3-dihydro-benzoimidazol-1-yl)-acetic acid(3-ethyl-2-imino-2,3-dihydro-1H-benzimidazol-1-yl)acetic acid2-(3-Ethyl-2-imino-2,3-dihydro-1H-benzo[d]imidazol-1-yl)acetic acid2-(3-ethyl-2-iminobenzimidazol-1-yl)acetic acid2-(3-ethyl-2-imino-3-hydrobenzimidazolyl)acetic acid4012AEOprea1_350941Oprea1_474235SCHEMBL4100208DTXSID90963074SBB011419
Show more names
TIMTEC-BB SBB011419CHEMBRDG-BB 5785978(3-ethyl-2-imino-2,3-dihydro-1H-benzimidazol-1-yl)acetic acid hydrobromide2-(3-Ethyl-2-imino-2,3-dihydro-1H-benzo[d]imidazol-1-yl)acetic acid hydrobromide
STK073149AKOS000300092EU-0036597ST50276847BRD-K80138688-001-01-3(3-Ethyl-2-imino-2,3-dihydro-1H-1,3-benzimidazol-1-yl)acetic acid2-(3-Ethyl-2-imino-2,3-dihydro-1H-benzo[d]imidazol-1-yl)aceticacid(3-ethyl-2-imino-2,3-dihydro-1H-benzimidazol-1-yl)acetic acid--hydrogen bromide (1/1)
Database identifiers
- CAS
436099-71-7- PubChem CID
- 764459
- DTXSID
DTXSID90963074
Properties
Computed structural properties
- XLogP
- 1
- Topological polar surface area
- 67.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 306
Physicochemical properties
- 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
- hazard_class
- IRRITANT
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…