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CAS No.: | 917021-59-1 |
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Name: | N-BOC-3-CYCLOHEXYLAMINO-PROPIONALDEHYDE |
Molecular Structure: | |
Formula: | C15H27NO3 |
Molecular Weight: | 255.357 |
Synonyms: | tert-butyl N-cyclohexyl-N-(4-oxobutyl)carbamate;N-Boc-3-Cyclohexylamino-propionaldehyde; |
Density: | 1.016 g/cm3 |
Boiling Point: | 370.161 °C at 760 mmHg |
Flash Point: | 177.667 °C |
PSA: | 46.61000 |
LogP: | 3.14520 |
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The Carbamicacid, N-cyclohexyl-N-(3-oxopropyl)-, 1,1-dimethylethyl ester, with the CAS registry number 917021-59-1, has the systematic name and IUPAC name of tert-butyl N-cyclohexyl-N-(4-oxobutyl)carbamate. And the molecular formula of the chemical is C15H27NO3.
The characteristics of Carbamicacid, N-cyclohexyl-N-(3-oxopropyl)-, 1,1-dimethylethyl ester are as followings: (1)ACD/LogP: 3.50; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.5; (4)ACD/LogD (pH 7.4): 3.5; (5)ACD/BCF (pH 5.5): 269.305; (6)ACD/BCF (pH 7.4): 269.305; (7)ACD/KOC (pH 5.5): 1910.621; (8)ACD/KOC (pH 7.4): 1910.621; (9)#H bond acceptors: 4; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 7; (12)Polar Surface Area: 46.61 Å2; (13)Index of Refraction: 1.481; (14)Molar Refractivity: 75.524 cm3; (15)Molar Volume: 265.152 cm3; (16)Polarizability: 29.94×10-24cm3; (17)Surface Tension: 37.539 dyne/cm; (18)Density: 1.016 g/cm3; (19)Flash Point: 177.667 °C; (20)Enthalpy of Vaporization: 61.702 kJ/mol; (21)Boiling Point: 370.161 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.
Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: CC(C)(C)OC(=O)N(CCCC=O)C1CCCCC1
(2)InChI: InChI=1/C15H27NO3/c1-15(2,3)19-14(18)16(11-7-8-12-17)13-9-5-4-6-10-13/h12-13H,4-11H2,1-3H3
(3)InChIKey: ICPMKXFEYXYKGX-UHFFFAOYAU