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685892-09-5

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Basic Information
CAS No.: 685892-09-5
Name: 2-(PIPERAZIN-1-YL)-ACETIC ACID N-(2-PHENYLETHYL)-AMIDE
Molecular Structure:
Molecular Structure of 685892-09-5 (2-(PIPERAZIN-1-YL)-ACETIC ACID N-(2-PHENYLETHYL)-AMIDE)
Formula: C14H21N3O
Molecular Weight: 247.34
Synonyms: N-(2-phenylethyl)-2-piperazin-1-ylacetamide;2-(Piperazin-1-yl)-acetic acid n-(2-phenylethyl)-amide;Piperazino-aceticacid-phenethylylamid hydrochloride;
Density: 1.071 g/cm3
Melting Point: 63-64 °C
Boiling Point: 463.8 °C at 760 mmHg
Flash Point: 234.3 °C
Hazard Symbols: T
Risk Codes: 25-36
Safety: 26-45
PSA: 44.37000
LogP: 0.90810
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Specification

The CAS register number of 1-Piperazineacetamide,N-(2-phenylethyl)- is 685892-09-5. It also can be called as 2-(Piperazin-1-yl)-acetic acid n-(2-phenylethyl)-amide and the systematic name about this chemical is N-(2-phenylethyl)-2-piperazin-1-ylacetamide. The molecular formula about this chemical is C14H21N3O and the molecular weight is 247.34. The IUPAC name about this chemical is N-phenethyl-2-piperazin-1-ylacetamide.

Physical properties about 1-Piperazineacetamide,N-(2-phenylethyl)- are: (1)ACD/LogP: 1.71; (2)ACD/LogD (pH 5.5): -1.18; (3)ACD/LogD (pH 7.4): 0.3; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 1; (7)ACD/KOC (pH 7.4): 7.88; (8)#H bond acceptors: 4; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 5; (11)Polar Surface Area: 26.79 Å2; (12)Index of Refraction: 1.536; (13)Molar Refractivity: 72.06 cm3; (14)Molar Volume: 230.7 cm3; (15)Polarizability: 28.56x10-24cm3; (16)Surface Tension: 40.6 dyne/cm; (17)Density: 1.071 g/cm3; (18)Flash Point: 234.3 °C; (19)Enthalpy of Vaporization: 72.51 kJ/mol; (20)Boiling Point: 463.8 °C at 760 mmHg; (21)Vapour Pressure: 8.83E-09 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(NCCc1ccccc1)CN2CCNCC2
(2)InChI: InChI=1/C14H21N3O/c18-14(12-17-10-8-15-9-11-17)16-7-6-13-4-2-1-3-5-13/h1-5,15H,6-12H2,(H,16,18)
(3)InChIKey: PMTDWOUIBYJPFJ-UHFFFAOYAB
(4)Std. InChI: InChI=1S/C14H21N3O/c18-14(12-17-10-8-15-9-11-17)16-7-6-13-4-2-1-3-5-13/h1-5,15H,6-12H2,(H,16,18) (5)Std. InChIKey: PMTDWOUIBYJPFJ-UHFFFAOYSA-N