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Basic information
- CAS
244257-76-9- Standard SMILES
CN(C)C(=N)c1ccc(C(=O)O)cc1- InChIKey
SGNVDUFAYWYCAY-UHFFFAOYSA-N- Molecular formula
- C10H12N2O2
- Average molar mass
- 192.21 g/mol
- Monoisotopic mass
- 192.08987762
Names & identifiers
- Preferred name
- Prt-062802
- IUPAC
- 4-(N,N-dimethylcarbamimidoyl)benzoic acid
Names & synonyms
Betrixaban metabolite M5QB2G5YT2L24-((Dimethylamino)iminomethyl)benzoic acidUNII-QB2G5YT2L2PRT062802PRT-0628024-[(dimethylamino)iminomethyl]benzoic acidBenzoic acid, 4-((dimethylamino)iminomethyl)-Benzoic acid, 4-[(dimethylamino)iminomethyl]-RefChem:2027614-(N,N-dimethylcarbamimidoyl)benzoic acid244257-76-9
Show more names
SCHEMBL254412SGNVDUFAYWYCAY-UHFFFAOYSA-NDTXSID501378136UJA25776SBB013904STK687214AKOS005600239ST084577
Database identifiers
- CAS
244257-76-9- PubChem CID
- 4913141
- DTXSID
DTXSID501378136- UNII
- QB2G5YT2L2
Properties
Computed structural propertiesFilling in
- XLogP
- 1
- Topological polar surface area
- 64.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 230
Chemistry & industry
Suppliers2 total
孟成科技（上海）有限公司400-820-6829 · [email protected]
上海双福生物科技有限公司+86-021-58380978 13482386415 · [email protected]
Related reactions
5 records
Compound notes
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