Basic information
- CAS
69100-53-4- Standard SMILES
NC(=O)Nc1ccc(CC(=O)O)cc1- InChIKey
JNIAIQHNSULCDL-UHFFFAOYSA-N- Molecular formula
- C9H10N2O3
- Average molar mass
- 194.19 g/mol
- Monoisotopic mass
- 194.06914219
Names & identifiers
- Preferred name
- Benzenacetic acid, 4-((aminocarbonyl)amino)-
- IUPAC
- 2-[4-(carbamoylamino)phenyl]acetic acid
- English name
- Benzenacetic acid, 4-((aminocarbonyl)amino)-
- Molecular formula
- C9H10N2O3
- Molecular weight
- 194.1873
Names & synonyms
69100-53-4Benzenacetic acid, 4-((aminocarbonyl)amino)-DTXSID50219160RefChem:322745DTXCID701416512-[4-(carbamoylamino)phenyl]acetic acidBenzeneacetic acid, 4-[(aminocarbonyl)amino]-[4-(carbamoylamino)phenyl]acetic acid4-ureido-phenylacetic acid2-(4-ureidophenyl)acetic acidSCHEMBL13849278AKOS000189435
Show more names
2-[4-(carbamoylamino)phenyl]aceticacidCS-0240072EN300-22411G53688
Database identifiers
- CAS
69100-53-4- PubChem CID
- 155195
- DTXSID
DTXSID50219160- EC Number
- 876-313-9
Properties
Computed structural properties
- XLogP
- 0.2
- Topological polar surface area
- 92.4 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 222
Experimental & physicochemical properties
LogP0.01
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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