Basic information
- CAS
72406-72-5- Standard SMILES
CCN(CC)CC(=O)Nc1[nH]c(Cc2ccccc2)c(C)c1C(N)=O- InChIKey
KLTJYAONJBGLSW-UHFFFAOYSA-N- Molecular formula
- C19H26N4O2
- Average molar mass
- 342.4 g/mol
- Monoisotopic mass
- 342.20557608
Overview
RN given refers to parent cpd; structure given in first source
Names & identifiers
- Preferred name
- Benzylcarbamyllidocaine
- IUPAC
- 5-benzyl-2-[[2-(diethylamino)acetyl]amino]-4-methyl-1H-pyrrole-3-carboxamide
- English name
- benzylcarbamyllidocaine
- Molecular formula
- C19H26N4O2
- Molecular weight
- 342.44
Names & synonyms
Benzylcarbamyllidocaine72406-72-52-(Diethylaminoacetamido)-3-carbamyl-4-methyl-benzylpyrrole1H-Pyrrole-3-carboxamide, 2-(((diethylamino)acetyl)amino)-4-methyl-5-(phenylmethyl)-, monohydrochlorideRefChem:118934DTXSID70993197N-(5-Benzyl-3-carbamoyl-4-methyl-1H-pyrrol-2-yl)(diethylamino)ethanimidic acidN-(5-Benzyl-3-carbamoyl-4-methyl-1H-pyrrol-2-yl)-2-(diethylamino)ethanimidic acid1H-Pyrrole-3-carboxamide, 2-[[2-(diethylamino)acetyl]amino]-4-methyl-5-(phenylmethyl)-
Database identifiers
- CAS
72406-72-5- PubChem CID
- 194445
- DTXSID
DTXSID70993197
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 91.2 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 8
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 447
Physicochemical properties
- Melting point
- 202 · 202-204 °C
- Boiling point
- 514.3 · 514.3±50.0 °C(Predicted)
- Density
- 1.186 · 1.186±0.06 g/cm3(Predicted)
- pka
- 14.33 · 14.33±0.70(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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