1-(4-(4-Amino-2-chlorophenyl)piperazin-1-yl)-2-methylpropan-1-one

HCID 936926CAS 701220-40-8

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

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-

Related reactions

4 records

Linked notes

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