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