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324748-62-1

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Basic Information
CAS No.: 324748-62-1
Name: 1-Benzyl-3(R)isopropylpiperazine
Article Data: 6
Molecular Structure:
Molecular Structure of 324748-62-1 (1-Benzyl-3(R)isopropylpiperazine)
Formula: C14H22 N2
Molecular Weight: 218.342
Synonyms: (3S)-3-(1-Methylethyl)-1-(phenylmethyl)piperazine;(S)-1-Benzyl-3-isopropylpiperazine; (S)-4-Benzyl-2-isopropylpiperazine;1-Benzyl-3(S)-isopropylpiperazine
Density: 0.975g/cm3
Boiling Point: 309.596ºC at 760 mmHg
Flash Point: 112.796ºC
Hazard Symbols: Xi
PSA: 15.27000
LogP: 2.38310
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Chemistry

Molecule structure of (S)-N4-Benzyl-2-isopropylpiperazine (CAS NO.324748-62-1):

IUPAC Name: (3S)-1-Benzyl-3-propan-2-ylpiperazine
Molecular Weight: 218.33788 [g/mol]
Molecular Formula: C14H22N2
Index of Refraction: 1.522
Molar Refractivity: 68.39 cm3
Molar Volume: 223.9 cm3
Polarizability: 27.11×10-24 cm3
Surface Tension: 35.1 dyne/cm
Density: 0.974 g/cm3
Flash Point: 112.8 °C
Enthalpy of Vaporization: 55.04 kJ/mol
Boiling Point: 309.6 °C at 760 mmHg
Vapour Pressure: 0.000633 mmHg at 25 °C 
XLogP3-AA: 2.5
H-Bond Donor: 1
H-Bond Acceptor: 2
Rotatable Bond Count: 3
Exact Mass: 218.178299
MonoIsotopic Mass: 218.178299
Topological Polar Surface Area: 15.3
Heavy Atom Count: 16 
Complexity: 197
Canonical SMILES: CC(C)C1CN(CCN1)CC2=CC=CC=C2
Isomeric SMILES: CC(C)[C@H]1CN(CCN1)CC2=CC=CC=C2
InChI: InChI=1S/C14H22N2/c1-12(2)14-11-16(9-8-15-14)10-13-6-4-3-5-7-13/h3-7,12,14-15H,8-11H2,1-2H3/t14-/m1/s1
InChIKey: HPOGZEGDXGTDSX-CQSZACIVSA-N
Product Categories of (S)-N4-Benzyl-2-isopropylpiperazine (CAS NO.324748-62-1): pharmacetical

Safety Profile

Hazard Codes: IrritantXi

Specification

 (S)-N4-Benzyl-2-isopropylpiperazine (CAS NO.324748-62-1) is also named as Piperazine,3-(1-methylethyl)-1-(phenylmethyl)-, (3S)- ; (3S)-3-(1-Methylethyl)-1-(phenylmethyl)piperazine ; (S)-1-Benzyl-3-isopropylpiperazine ; (S)-4-Benzyl-2-isopropylpiperazine ; 1-Benzyl-3(S)-isopropylpiperazine .