1-Benzyl-3-methylpiperazine supplier

Name
1-Benzyl-3-methylpiperazine
EINECS 604-604-1
CAS No. 3138-90-7
Article Data8
CAS DataBase
Density 0.991 g/cm³
Solubility
Melting Point
Formula C₁₂H₁₈N₂
Boiling Point 281.5 °C at 760 mmHg
Molecular Weight 190.288
Flash Point 112.3 °C
Transport Information
Appearance
Safety 45-24/25-23
Risk Codes 25-20/21/22
Molecular Structure
Hazard Symbols Xi
Synonyms Piperazine,1-benzyl-3-methyl- (7CI,8CI);1-Benzyl-3-methylpiperazine;3-Methyl-1-(phenylmethyl)piperazine;
PSA 15.27000
LogP 1.74700

1-Benzyl-3-methylpiperazine Specification

The IUPAC name of 1-Benzyl-3-methylpiperazine is 1-Benzyl-3-methylpiperazine. With the CAS registry number 3138-90-7, it is also named as Piperazine,3-methyl-1-(phenylmethyl)-. The product's categories are Pharmacetical and Piperazine Series. In addition, its molecular formula is C₁₂H₁₈N₂ and its molecular weight is 190.28.

The other characteristics of 1-Benzyl-3-methylpiperazine can be summarized as: (1)ACD/LogP: 1.85; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.19; (4)ACD/LogD (pH 7.4): -0.12; (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): 2.6; (9)H bond acceptors: 2; (10)H bond donors: 1; (11)Freely Rotating Bonds: 2; (12)Polar Surface Area: 6.48 Å²; (13)Index of Refraction: 1.529; (14)Molar Refractivity: 59.23 cm³; (15)Molar Volume: 191.8 cm³; (16)Polarizability: 23.48×10^-24cm³; (17)Surface Tension: 35.1 dyne/cm; (18)Density: 0.991 g/cm³; (19)Flash Point: 112.3 °C; (20)Enthalpy of Vaporization: 52.04 kJ/mol; (21)Boiling Point: 281.5 °C at 760 mmHg; (22)Vapour Pressure: 0.00354 mmHg at 25 °C.

People can use the following data to convert to the molecule structure.
(1)SMILES:c1c(cccc1)CN2CC(NCC2)C
(2)InChI:InChI=1/C12H18N2/c1-11-9-14(8-7-13-11)10-12-5-3-2-4-6-12/h2-6,11,13H,7-10H2,1H3
(3)InChIKey:QOFUDSPYJDXBOF-UHFFFAOYAP
(4)Std. InChI:InChI=1S/C12H18N2/c1-11-9-14(8-7-13-11)10-12-5-3-2-4-6-12/h2-6,11,13H,7-10H2,1H3
(5)Std. InChIKey:QOFUDSPYJDXBOF-UHFFFAOYSA-N

Product Name

1-Benzyl-3-methylpiperazine

1-Benzyl-3-methylpiperazine Specification

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