1-Piperazinepropanamine,4-(phenylmethyl)- supplier

Name
3-(4-Benzyl-piperazinyl)propanamine
EINECS
CAS No. 4553-27-9
Article Data4
CAS DataBase
Density 1.038 g/cm³
Solubility
Melting Point
Formula C₁₄H₂₃N₃
Boiling Point 355.1 °C at 760 mmHg
Molecular Weight 233.357
Flash Point 166.1 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 3-(4-Benzyl-piperazinyl)propanamine;3-(4-Benzylpiperazin-1-yl)propan-1-amine;
PSA 32.50000
LogP 1.72910

1-Piperazinepropanamine,4-(phenylmethyl)- Specification

The 1-Piperazinepropanamine,4-(phenylmethyl)-, with the CAS registry number 4553-27-9, is also known as 3-(4-Benzyl-piperazinyl)propanamine. The molecular formula of this chemical is C₁₄H₂₃N₃ and molecular weight is 233.35. What's more, its systematic name is 3-(4-Benzylpiperazin-1-yl)propan-1-amine.

Physical properties of 1-Piperazinepropanamine,4-(phenylmethyl)- are: (1)ACD/LogP: 0.51; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -3.24; (4)ACD/LogD (pH 7.4): -2.2; (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): 1; (9)#H bond acceptors: 3; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 6; (12)Polar Surface Area: 9.72 Å²; (13)Index of Refraction: 1.556; (14)Molar Refractivity: 72.24 cm³; (15)Molar Volume: 224.6 cm³; (16)Polarizability: 28.63×10^-24 cm³; (17)Surface Tension: 43.5 dyne/cm; (18)Density: 1.038 g/cm³; (19)Flash Point: 166.1 °C; (20)Enthalpy of Vaporization: 60.03 kJ/mol; (21)Boiling Point: 355.1 °C at 760 mmHg; (22)Vapour Pressure: 3.19E-05 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1CN(CCN1CCCN)CC2=CC=CC=C2
(2)InChI: InChI=1S/C14H23N3/c15-7-4-8-16-9-11-17(12-10-16)13-14-5-2-1-3-6-14/h1-3,5-6H,4,7-13,15H2
(3)InChIKey: DQZBCJSBHYEUAY-UHFFFAOYSA-N

Product Name

3-(4-Benzyl-piperazinyl)propanamine

1-Piperazinepropanamine,4-(phenylmethyl)- Specification

Related Products

Hot Products