Basic information
- Standard SMILES
CC(C)C(=O)N1CCN(c2ccc(N)cc2Cl)CC1- InChIKey
LZBYAZKZDQWCQM-UHFFFAOYSA-N- Molecular formula
- C14H20ClN3O
- Average molar mass
- 281.78 g/mol
- Monoisotopic mass
- 281.12948994
Names & identifiers
- Preferred name
- 1-(4-(4-Amino-2-chlorophenyl)piperazin-1-yl)-2-methylpropan-1-one
- IUPAC
- 1-[4-(4-amino-2-chlorophenyl)piperazin-1-yl]-2-methylpropan-1-one
- English name
- 1-[4-(4-Amino-2-chloro-phenyl)-piperazin-1-yl]-2-methyl-propan-1-one
- Molecular formula
- C14H20ClN3O
- Molecular weight
- 281.78
Names & synonyms
701220-40-81-[4-(4-amino-2-chlorophenyl)piperazin-1-yl]-2-methylpropan-1-one1-(4-(4-amino-2-chlorophenyl)piperazin-1-yl)-2-methylpropan-1-oneDTXSID00359080RefChem:224712DTXCID40310135[3-chloro-4-(4-isobutyrylpiperazin-1-yl)phenyl]amineMFCD038482433-chloro-4-(4-isobutyrylpiperazin-1-yl)anilineSCHEMBL2533740LZBYAZKZDQWCQM-UHFFFAOYSA-NALBB-026879
Show more names
AKOS BB177AKOS BB-8663ASISCHEM Y91390ZERENEX ZX0087021-(4-AMINO-2-CHLOROPHENYL)-4-(2-METHYL-1-OXOPROPYL)-PIPERAZINEPIPERAZINE, 1-(4-AMINO-2-CHLOROPHENYL)-4-(2-METHYL-1-OXOPROPYL)-1-[4-(4-amino-2-chlorophenyl)-1-piperazinyl]-2-methylpropan-1-one1-Propanone, 1-[4-(4-amino-2-chlorophenyl)-1-piperazinyl]-2-methyl-1-[4-(4-Amino-2-chloro-phenyl)-piperazin-1-yl]-2-methyl-propan-1-one
STK327888AKOS000103765FC134207LS-09184CS-0313435ST50025992G623581-[4-(4-amino-2-chlorophenyl)piperazinyl]-2-methylpropan-1-one
Database identifiers
- CAS
701220-40-8- PubChem CID
- 936926
- DTXSID
DTXSID00359080
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 49.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 316
Physicochemical properties
- Boiling point
- 494.4 · 494.4±45.0 °C(Predicted)
- Density
- 1.216 · 1.216±0.06 g/cm3(Predicted)
- pka
- 6.63 · 6.63±0.10(Predicted)
Chemistry & industry
Suppliers8 total
COMBI-BLOCKS[email protected]
常州欣特科化工有限公司-
MATRIX[email protected]
ZERENEX[email protected]
ASISCHEM[email protected]
宝欧信特生物科技(苏州)有限公司51288865780 · [email protected]
Carbosynth[email protected]
Related reactions
4 records
Linked notes
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