4-(4-Methyl-1-piperazinyl)acetophenone

HCID 33551
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Basic information

CAS
26586-55-0
Standard SMILES
CC(=O)c1ccc(N2CCN(C)CC2)cc1
InChIKey
IRIZGAMYKHTLKS-UHFFFAOYSA-N
Molecular formula
C13H18N2O
Average molar mass
218.29 g/mol
Monoisotopic mass
218.1419132

Names & identifiers

Preferred name
4-(4-Methyl-1-piperazinyl)acetophenone
IUPAC
1-[4-(4-methylpiperazin-1-yl)phenyl]ethanone
English name
1-[4-(4-Methylpiperazino)phenyl]-1-ethanone
Molecular formula
C13H18N2O
Molecular weight
218.29

Names & synonyms

26586-55-01-[4-(4-methylpiperazino)phenyl]-1-ethanone1-[4-(4-methylpiperazin-1-yl)phenyl]ethanoneACETOPHENONE, 4'-(4-METHYL-1-PIPERAZINYL)-1-[4-(4-methylpiperazin-1-yl)phenyl]ethan-1-one1-(4-(4-Methylpiperazin-1-yl)phenyl)ethan-1-onep-(4-Methylpiperazino)-acetophenoneEINECS 247-827-5NSC 102840BRN 08852055D5R2K46S2NSC-102840
Show more names
4-(4-METHYLPIPERAZINO)ACETOPHENONE4-(4-Methylpiperazino)acetophenone,98%4'-(4-Methyl-1-piperazinyl)acetophenone4’-(4-methyl-1-piperazinyl)-acetophenonEthanone, 1-[4-(4-methyl-1-piperazinyl)phenyl]-1-[4-(4-methyl-1-piperazin-4-iumyl)phenyl]ethanone
4-(4-Methyl-1-piperazinyl)acetophenoneUNII-5D5R2K46S2DTXSID101811521-(4-(4-Methylpiperazin-1-yl)phenyl)ethanone5-23-02-00200 (Beilstein Handbook Reference)1-[4-(4-Methyl-1-piperazinyl)phenyl]ethanone1-(4-(4-METHYL-1-PIPERAZINYL)PHENYL)ETHANONE1-(4-(4-METHYLPIPERAZINO)PHENYL)-1-ETHANONE

Database identifiers

CAS
26586-55-0
PubChem CID
33551
DTXSID
DTXSID10181152
ChEMBL
CHEMBL1180545
UNII
5D5R2K46S2
EC Number
247-827-5
Nikkaji
J55.039F

Properties

Computed structural properties

XLogP
1.5
Topological polar surface area
23.6 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
3
Rotatable bonds
2
Heavy atoms
16

Physicochemical properties

Melting point
96 · 96-100 °C
Boiling point
358.99 °C · 358.99°C (rough estimate)
Density
1.0346 · 1.0346 (rough estimate)
refractive index
1.645 · 1.6450 (estimate)
pka
7.59 · 7.59±0.42(Predicted)
form
Crystalline Powder

Safety & regulation

GHS classification

GHS ClassificationNot Classified

Hazard information

Hazard Classes and CategoriesNot Classified

Safety data

hs_code
29335995
safety_code
24/25
hazard_class
IRRITANT

Chemistry & industry

Upstream & downstream products

Suppliers18 total

北京福源坊科技有限公司010-57903446 15869909019 · [email protected]
苏州市森菲达化工有限公司18796480002 18796480002 · [email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
武汉凯威斯科技有限公司86-027-67849912 · [email protected]
山东李比希生物医药科技有限公司15318973357; 15318973357 · [email protected]

Related reactions

11 records
New reaction record

Compound notes

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