Basic information
- CAS
139084-69-8- Standard SMILES
CN1CCN(C(CC(=O)c2ccc(Cl)cc2)C(=O)O)CC1- InChIKey
BHCBJJGOEHGPJQ-UHFFFAOYSA-N- Molecular formula
- C15H19ClN2O3
- Average molar mass
- 310.77 g/mol
- Monoisotopic mass
- 310.1084202
Names & identifiers
- Preferred name
- 1-Piperazineacetic acid, alpha-(2-(4-chlorophenyl)-2-oxoethyl)-4-methyl-, hydrate (2:1)
- IUPAC
- 4-(4-chlorophenyl)-2-(4-methylpiperazin-1-yl)-4-oxobutanoic acid
- English name
- 4-(4-CHLOROPHENYL)-2-(4-METHYLPIPERAZINO)-4-OXOBUTANOIC ACID
- Molecular formula
- C15H19ClN2O3
- Molecular weight
- 310.78
Names & synonyms
139084-69-81-Piperazineacetic acid, alpha-(2-(4-chlorophenyl)-2-oxoethyl)-4-methyl-, hydrate (2:1)RefChem:10564594-(4-chlorophenyl)-2-(4-methylpiperazin-1-yl)-4-oxobutanoic acid4-(4-chlorophenyl)-2-(4-methylpiperazino)-4-oxobutanoic acidalpha-(2-(4-Chlorophenyl)-2-oxoethyl)-4-methyl-1-piperazineacetic acid hydrate (2:1)MLS000736265DTXSID90930327AKOS005105875JS-1217SMR000338515ST007437
Show more names
1-Piperazineacetic acid, α-[2-(4-chlorophenyl)-2-oxoethyl]-4-methyl-
SR-01000307701SR-01000307701-14-(4-chlorophenyl)-2-(4-methylpiperazinyl)-4-oxobutanoic acid4-(4-chlorophenyl)-2-(4-methylpiperazin-1-yl)-4-oxobutanoicacid
Database identifiers
- CAS
139084-69-8- PubChem CID
- 3071817
- DTXSID
Properties
Computed structural properties
- XLogP
- -0.6
- Topological polar surface area
- 60.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 375
Chemistry & industry
Suppliers5 total
Carbone Scientific CO., LTD[email protected]
Ryan Scientific, Inc.[email protected]
Key Organics Ltd.[email protected]
BIONET-INTER[email protected]
3B Scientific Corporation[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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