Basic Information | Post buying leads | Suppliers | Cas Database |
Name |
1-Boc-4-methylpiperazine |
EINECS | N/A |
CAS No. | 53788-49-1 | Density | 1.023 g/cm3 |
PSA | 32.78000 | LogP | 1.04470 |
Solubility | N/A | Melting Point |
N/A |
Formula | C10H20N2O2 | Boiling Point | 254.8 °C at 760 mmHg |
Molecular Weight | 200.281 | Flash Point | 107.9 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
1-Methyl-4-(tert-butoxycarbonyl)piperazine;4-Methylpiperazine-1-carboxylic acid tert-butyl ester;tert-butyl 4-methylpiperazine-1-carboxylate;1-Piperazinecarboxylic acid, 4-methyl-, 1,1-dimethylethyl ester;tert-Butyl 4-methylpiperazine-1-carboxylate;1-Boc-4-methylpiperazine; |
Article Data | 20 |
The 1-Boc-4-methylpiperazine, with the cas registry number 53788-49-1, has the systematic name of tert-butyl 4-methylpiperazine-1-carboxylate. It is a kind of colorless oil, and belongs to the following product categories: Piperidines, Piperidones, Piperazines; Heterocyclic Compounds; Heterocycles; Intermediates. And the molecular formula of the chemical is C10H20N2O2.
The characteristics of this chemical are as followings: (1)ACD/LogP: 0.95; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 7.4): 0.78; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 2.09; (6)ACD/KOC (pH 5.5): 2.08; (7)ACD/KOC (pH 7.4): 52.9; (8)#H bond acceptors: 4; (9)#H bond donors: 0; (10)#Freely Rotating Bonds: 2; (11)Polar Surface Area: 32.78 Å2; (12)Index of Refraction: 1.474; (13)Molar Refractivity: 55.1 cm3; (14)Molar Volume: 195.7 cm3; (15)Polarizability: 21.84×10-24cm3; (16)Surface Tension: 34.7 dyne/cm; (17)Density: 1.023 g/cm3; (18)Flash Point: 107.9 °C; (19)Enthalpy of Vaporization: 49.22 kJ/mol; (20)Boiling Point: 254.8 °C at 760 mmHg; (21)Vapour Pressure: 0.0169 mmHg at 25°C.
Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: O=C(OC(C)(C)C)N1CCN(C)CC1
(2)InChI: InChI=1/C10H20N2O2/c1-10(2,3)14-9(13)12-7-5-11(4)6-8-12/h5-8H2,1-4H3
(3)InChIKey: CJDYFMIDIQXELO-UHFFFAOYAD