1-(2,4-Xylyl)piperazine

HCID 70544CAS 1013-76-9

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Basic information

Standard SMILES: Cc1ccc(N2CCNCC2)c(C)c1
InChIKey: RUIMBVCRNZHCRQ-UHFFFAOYSA-N
Molecular formula: C12H18N2
Average molar mass: 190.28 g/mol
Monoisotopic mass: 190.14699858

Names & identifiers

Preferred name: 1-(2,4-Xylyl)piperazine
IUPAC: 1-(2,4-dimethylphenyl)piperazine
English name: 1-(2,4-Dimethylphenyl)piperazine
Molecular formula: C12H18N2
Molecular weight: 190.28

Names & synonyms

1-(2,4-Dimethylphenyl)Piperazine1013-76-91-(2,4-Xylyl)piperazineEINECS 213-797-7DTXSID50143830RefChem:420538DTXCID0066321213-797-7Piperazine, 1-(2,4-dimethylphenyl)-MFCD00023127(2,4-dimethylphenyl)piperazineN-(2,4-Dimethylphenyl)piperazine

Show more names

1-(2,4-Diemthylphenyl)PiperazineAKOS BB-5739Dapoxetine racemateTIMTEC-BB SBB0036504-DiMethylphenyl)piperazine1-(2,4-Dimethylphenyl)piperazine>Piperazine, 1-(2,4-dimethylphenyl)-1-(2,4-Dimethylphenyl)piperazine,99%

N-(2,4-Xylyl)piperazineK3VEQ8BX57SCHEMBL255197orb3022716SCHEMBL2836561Piperazine, 1-(2,4-xylyl)-TPL03141,1-dimethyl-4-phenyl piperazine

Database identifiers

CAS: 1013-76-9
PubChem CID: 70544
DTXSID: DTXSID50143830
UNII: K3VEQ8BX57
EC Number: 213-797-7
Nikkaji: J217.135J

Properties

Computed structural properties

XLogP: 2.6
Topological polar surface area: 15.3 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 2
Rotatable bonds: 1
Heavy atoms: 14
Formal charge: 0
Complexity: 175

Physicochemical properties

Boiling point: 153 °C/10mmHg · 153°C/10mmHg(lit.)
Density: 1.013 · 1.0130
refractive index: 1.553 · 1.553-1.555
pka: 9 · 9.00±0.10(Predicted)
form: Liquid
color: Clear slightly colored
InChI: InChI=1S/C12H18N2/c1-10-3-4-12(11(2)9-10)14-7-5-13-6-8-14/h3-4,9,13H,5-8H2,1-2H3
InChIKey: RUIMBVCRNZHCRQ-UHFFFAOYSA-N
SMILES: N1(C2=CC=C(C)C=C2C)CCNCC1
CAS DataBase Reference: 1013 · 1013-76-9(CAS DataBase Reference)
FDA UNII: 3 VEQ8BX57 · K3VEQ8BX57
Symbol(GHS): 5 · GHS05
Signal word: Danger
Hazard statements: 314 · H314
Precautionary statements: 260 · P260-P264-P280-P301+P330+P331+P310-P303+P361+P353+P310+P363-P304+P340+P310-P305+P351+P338+P310-P405-P501
Hazard Codes: Xi
Risk Statements: 36 · 36/37/38-36
Safety Statements: 24 · 24/25-26
RIDADR: 3267 · 3267
HazardClass: 8 · 8
PackingGroup: III
HS Code: 29333990 · 29333990

Safety & regulation

Safety data

ridadr: 3267
hs_code: 29333990
risk_code: 36/37/38-36
Signal word: Danger
Symbol(GHS): GHS05
hazard_code: Xi
safety_code: 24/25-26
hazard_class: 8
packing_group: III
Hazard statements: H314
Precautionary statements: P260-P264-P280-P301+P330+P331+P310-P303+P361+P353+P310+P363-P304+P340+P310-P305+P351+P338+P310-P405-P501