1-Piperazineaceticacid, 4-(phenylmethyl)-, hydrochloride (1:2) supplier

Name
(4-BENZYL-PIPERAZIN-1-YL)-ACETIC ACID DIHYDROCHLORIDE
EINECS
CAS No. 214535-51-0
Density
Solubility
Melting Point
Formula C₁₃H₂₀Cl₂N₂O₂
Boiling Point 439.9 °C at 760 mmHg
Molecular Weight 307.2161
Flash Point 219.9 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 1-Piperazineaceticacid, 4-(phenylmethyl)-, dihydrochloride (9CI);
PSA 43.78000
LogP 2.36860

1-Piperazineaceticacid, 4-(phenylmethyl)-, hydrochloride (1:2) Specification

The 1-Piperazineaceticacid, 4-(phenylmethyl)-, hydrochloride (1:2), with CAS registry number 214535-51-0, has the systematic name of (4-benzylpiperazin-1-yl)acetic acid dihydrochloride. Besides this, it is also called (4-Benzyl-piperazin-1-yl)-acetic acid 2Hcl. And the chemical formula of this chemical is C₁₃H₂₀Cl₂N₂O₂.

Physical properties of 1-Piperazineaceticacid, 4-(phenylmethyl)-, hydrochloride (1:2): (1)ACD/LogP: 0.90; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 4; (4)#H bond donors: 1; (5)#Freely Rotating Bonds: 4; (6)Polar Surface Area: 43.78 Å²; (7)Flash Point: 219.9 °C; (8)Enthalpy of Vaporization: 73.46 kJ/mol; (9)Boiling Point: 439.9 °C at 760 mmHg; (10)Vapour Pressure: 1.62E-08 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Cl.Cl.OC(=O)CN2CCN(Cc1ccccc1)CC2
(2)InChI: InChI=1/C13H18N2O2.2ClH/c16-13(17)11-15-8-6-14(7-9-15)10-12-4-2-1-3-5-12;;/h1-5H,6-11H2,(H,16,17);2*1H
(3)InChIKey: PGASJMSZUPLNTH-UHFFFAOYAD
(4)Std. InChI: InChI=1S/C13H18N2O2.2ClH/c16-13(17)11-15-8-6-14(7-9-15)10-12-4-2-1-3-5-12;;/h1-5H,6-11H2,(H,16,17);2*1H
(5)Std. InChIKey: PGASJMSZUPLNTH-UHFFFAOYSA-N

Product Name

(4-BENZYL-PIPERAZIN-1-YL)-ACETIC ACID DIHYDROCHLORIDE

1-Piperazineaceticacid, 4-(phenylmethyl)-, hydrochloride (1:2) Specification

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