1-Piperazineacetamide,N-(2-phenylethyl)- supplier

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

1-Piperazineacetamide,N-(2-phenylethyl)- 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

Product Name

2-(PIPERAZIN-1-YL)-ACETIC ACID N-(2-PHENYLETHYL)-AMIDE

1-Piperazineacetamide,N-(2-phenylethyl)- Specification

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