Basic information
- CAS
59133-39-0- Standard SMILES
CC(=O)c1c(C)[nH]c(-c2ccccc2)c1[NH3+].[Cl-]- InChIKey
KGEVRRIKSHIGCE-UHFFFAOYSA-N- Molecular formula
- C13H15ClN2O
- Average molar mass
- 250.72 g/mol
- Monoisotopic mass
- 250.0872908
Names & identifiers
- Preferred name
- 1-(4-Amino-2-methyl-5-phenyl-1H-pyrrol-3-yl)ethan-1-one--hydrogen chloride (1/1)
- IUPAC
- (4-acetyl-5-methyl-2-phenyl-1H-pyrrol-3-yl)azanium chloride
Names & synonyms
59133-39-0DTXSID809745731-(4-Amino-2-methyl-5-phenyl-1H-pyrrol-3-yl)ethan-1-one--hydrogen chloride (1/1)RefChem:1054266DTXCID1014019971-(4-Amino-2-methyl-5-phenyl-1H-pyrrol-3-yl)ethanone hydrochlorideKetone, (4-amino-2-methyl-5-phenylpyrrol-3-yl) methyl, monohydrochlorideETHANONE, 1-(4-AMINO-2-METHYL-5-PHENYL-1H-PYRROL-3-YL)-, MONOHYDROCHLORIDE
Database identifiers
- CAS
59133-39-0- PubChem CID
- 42959
Properties
Computed structural properties
- Topological polar surface area
- 60.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 261
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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