-
Name
1-(2,4-DIMETHOXYPHENYL)PIPERAZINE
- EINECS
- CAS No. 16015-75-1
- Article Data6
- CAS DataBase
- Density 1.08 g/cm3
- Solubility
- Melting Point
- Formula C12H18N2O2
- Boiling Point 381.7 °C at 760 mmHg
- Molecular Weight 222.287
- Flash Point 184.7 °C
- Transport Information
- Appearance
- Safety 26-36/37/39
- Risk Codes 36/37/38
-
Molecular Structure
-
Hazard Symbols
- Synonyms Dimethoxyphenylpiperazine;
- PSA 33.73000
- LogP 1.50720
1-(2,4-Dimethoxy-phenyl)piperazine Specification
The 1-(2,4-Dimethoxy-phenyl)piperazine, with the CAS registry number of 16015-75-1, is also known as Dimethoxyphenylpiperazine. This chemical's molecular formula is C12H18N2O2 and molecular weight is 222.28. What's more, its systematic name is 1-(2,4-Dimethoxyphenyl)piperazine.
Physical properties about the 1-(2,4-Dimethoxy-phenyl)piperazine are: (1)ACD/LogP: 0.81; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.98; (4)ACD/LogD (pH 7.4): -0.42; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 3.88; (9)#H bond acceptors: 4; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 24.94 Å2; (13)Index of Refraction: 1.526; (14)Molar Refractivity: 63.16 cm3; (15)Molar Volume: 205.7 cm3; (16)Surface Tension: 36.6 dyne/cm; (17)Density: 1.08 g/cm3; (18)Flash Point: 184.7 °C; (19)Enthalpy of Vaporization: 63 kJ/mol; (20)Boiling Point: 381.7 °C at 760 mmHg; (21)Vapour Pressure: 4.98E-06 mmHg at 25 °C.
When you are using this chemical, please be cautious about it as the following:
As a chemical, it is irritating to eyes, respiratory system and skin. If contact with eyes accidently, rinse immediately with plenty of water and seek medical advice. During using it, wear suitable protective clothing, gloves and eye/face protection.
You can still convert the following datas into molecular structure:
(1) SMILES:O(c1cc(OC)c(cc1)N2CCNCC2)C
(2) InChI:InChI=1/C12H18N2O2/c1-15-10-3-4-11(12(9-10)16-2)14-7-5-13-6-8-14/h3-4,9,13H,5-8H2,1-2H3
(3) InChIKey:XZXCBTBAADXWDD-UHFFFAOYAR
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