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CAS No.: | 55480-45-0 |
---|---|
Name: | 3-(N-METHYLPIPERAZINE)-PROPAN-1-OIC ACID HYDROCHLORIDE SALT |
Article Data: | 2 |
Molecular Structure: | |
Formula: | C8H16N2O2 |
Molecular Weight: | 172.227 |
Synonyms: | 3-(4-Methylpiperazin-1-yl)propanoicacid;3-(4-Methylpiperazin-1-yl)propionic acid;3-(4-Methylpiperazino)propanoicacid; |
Density: | 1.095g/cm3 |
Boiling Point: | 305.5 °C at 760 mmHg |
Flash Point: | 138.6 °C |
Hazard Symbols: | Xi |
Risk Codes: | 36/37/38 |
Safety: | 26-36/37/39 |
PSA: | 43.78000 |
LogP: | -0.41570 |
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The 1-Piperazinepropanoicacid, 4-methyl-, with CAS registry number 55480-45-0, belongs to the following product categories: (1)Piperidine; (2)Piperazines. It has the systematic name of 3-(4-methylpiperazin-1-yl)propanoic acid. And the chemical formula of this chemical is C8H16N2O2.
Physical properties of 1-Piperazinepropanoicacid, 4-methyl-: (1)ACD/LogP: -0.80; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -3.28; (4)ACD/LogD (pH 7.4): -3.32; (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: 4; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 32.78 Å2; (13)Index of Refraction: 1.494; (14)Molar Refractivity: 45.81 cm3; (15)Molar Volume: 157.2 cm3; (16)Polarizability: 18.16×10-24cm3; (17)Surface Tension: 40 dyne/cm; (18)Density: 1.095 g/cm3; (19)Flash Point: 138.6 °C; (20)Enthalpy of Vaporization: 60.05 kJ/mol; (21)Boiling Point: 305.5 °C at 760 mmHg; (22)Vapour Pressure: 0.000186 mmHg at 25°C.
When you are using this chemical, please be cautious about it as the following:
The 1-Piperazinepropanoicacid, 4-methyl- irritates to eyes, respiratory system and skin. When use it, wear suitable protective clothing, gloves and eye/face protection. If contact with eyes, rinse immediately with plenty of water and seek medical advice.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)CCN1CCN(CC1)C
(2)InChI: InChI=1/C8H16N2O2/c1-9-4-6-10(7-5-9)3-2-8(11)12/h2-7H2,1H3,(H,11,12)
(3)InChIKey: JSHLMMUXJIDENZ-UHFFFAOYAB
(4)Std. InChI: InChI=1S/C8H16N2O2/c1-9-4-6-10(7-5-9)3-2-8(11)12/h2-7H2,1H3,(H,11,12)
(5)Std. InChIKey: JSHLMMUXJIDENZ-UHFFFAOYSA-N