CAS 55121-99-8 (4-aminophenyl)(4-methylpiperazin-1-yl)methanone (HCID 231408)

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Basic information

CAS: 55121-99-8
Standard SMILES: CN1CCN(C(=O)c2ccc(N)cc2)CC1
InChIKey: WTBSUAXLZLAHPE-UHFFFAOYSA-N
Molecular formula: C12H17N3O
Average molar mass: 219.288 g/mol
Monoisotopic mass: 219.13716216

Names & identifiers

Preferred name: (4-aminophenyl)(4-methylpiperazin-1-yl)methanone
IUPAC: (4-Aminophenyl)(4-methylpiperazin-1-yl)methanone
English name: 1-(4-AMINOBENZOYL)-4-METHYLPIPERAZINE
Molecular formula: C12H17N3O
Molecular weight: 219.28

Names & synonyms

NSC 27588BUTTPARK 19\02-441-(4-AMINOBENZOYL)-4-METHYLPIPERAZINE1-(4-Aminobenzoyl)-4-methyl piperidine4-(4-methylpiperazine-1-carbonyl)aniline4-[(4-Methyl-1-piperazinyl)carbonyl]aniline(4-Aminophenyl)(4-methylpiperazin-1-yl)methanone(4-aminophenyl)(4-methyl-1-piperazinyl)MethanoneMethanone, (4-aminophenyl)(4-methyl-1-piperazinyl)-(4-Aminophenyl)(4-methylpiperazin-1-yl)methanone - [A89700]

Database identifiers

CAS: 55121-99-8
PubChem CID: 231408
DTXSID: DTXSID20282720
EC Number: 160-576-5

Properties

Physicochemical properties

Melting point: 140 ℃ · 140℃
Boiling point: 407 · 407.0±40.0 °C(Predicted)
Density: 1.167 · 1.167
storage temp.: Keep in dark place,Inert atmosphere,Room temperature
pka: 6.86 · 6.86±0.10(Predicted)
Appearance: Light yellow to yellow Solid
InChI: InChI=1S/C12H17N3O/c1-14-6-8-15(9-7-14)12(16)10-2-4-11(13)5-3-10/h2-5H,6-9,13H2,1H3
InChIKey: WTBSUAXLZLAHPE-UHFFFAOYSA-N
SMILES: C(C1=CC=C(N)C=C1)(N1CCN(C)CC1)=O
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319-H335
Precautionary statements: 280 · P280-P261
HS Code: 2933599590 · 2933599590