Basic information
- CAS
149-13-3- Standard SMILES
CCN(CC)CCOC(=O)c1ccc(N)cc1.O=BO.O=BO.O=BO.O=BO.O=BO- InChIKey
GTQXPCWVIUCJCK-UHFFFAOYSA-N- Molecular formula
- C13H25B5N2O12
- Average molar mass
- 455.4 g/mol
- Monoisotopic mass
- 456.1872751
Overview
See also: Procaine (has active moiety).
Names & identifiers
- Preferred name
- Procaine Borate
- IUPAC
- 2-(diethylamino)ethyl 4-aminobenzoate;oxoborinic acid
- English name
- procaine borate
- Molecular formula
- C13H23BN2O5
- Molecular weight
- 298.14312
Names & synonyms
Procaine borateProcaine borate [NF]149-13-3EINECS 205-732-6UNII-B42E10825BB42E10825BDTXSID701641482-(Diethylamino)ethyl p-aminobenzoate borate (1:5)RefChem:176111DTXCID5086639205-732-6Q27274327
Show more names
oxoborinic acidketoborinic acid2-diethylaminoethyl 4-azanylbenzoate2-(diethylamino)ethyl 4-aminobenzoate,oxoborinic acid
Database identifiers
- CAS
149-13-3- PubChem CID
- 67418
- DTXSID
DTXSID70164148- UNII
- B42E10825B
- EC Number
- 205-732-6
Properties
Computed structural properties
- Topological polar surface area
- 242 Ų
- Hydrogen bond donors
- 6
- Hydrogen bond acceptors
- 14
- Rotatable bonds
- 7
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 232
Physicochemical properties
- FDA UNII
- 42 E10825B · B42E10825B
Chemistry & industry
Suppliers2 total
河北方乾新材料科技有限公司86-180-3439-5858-5858 18034395858
石家庄苏兴生物科技有限公司173-1858-6295 17318586295 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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