-
Name
N-BOC-3-CYCLOHEXYLAMINO-PROPIONALDEHYDE
- EINECS
- CAS No. 917021-59-1
- Density 1.016 g/cm3
- Solubility
- Melting Point
- Formula C15H27NO3
- Boiling Point 370.161 °C at 760 mmHg
- Molecular Weight 255.357
- Flash Point 177.667 °C
- Transport Information
- Appearance
- Safety
- Risk Codes
-
Molecular Structure
- Hazard Symbols
- Synonyms tert-butyl N-cyclohexyl-N-(4-oxobutyl)carbamate;N-Boc-3-Cyclohexylamino-propionaldehyde;
- PSA 46.61000
- LogP 3.14520
Carbamicacid, N-cyclohexyl-N-(3-oxopropyl)-, 1,1-dimethylethyl ester Specification
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
Related Products
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- Carbamicacid, [2-amino-1-(1H-indol-3-ylmethyl)-2-oxoethyl]-, 1,1-dimethylethyl ester,(S)- (9CI)
- Carbamicacid, [2-hydroxy-6-(4-morpholinyl)phenyl]-, ethyl ester (9CI)
- Carbamicacid, [3-nitro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-,1,1-dimethylethyl ester (9CI)
- Carbamicacid, N-(1H-pyrrolo[2,3-b]pyridin-5-ylmethyl)-, 1,1-dimethylethyl ester
- Carbamicacid, N-(2-aminoethyl)-N-methyl-, phenylmethyl ester
- Carbamicacid, N-(2-hydroxy-1-phenylethyl)-, 1,1-dimethylethyl ester
- Carbamicacid, N-[(1S,2R)-3-chloro-2-hydroxy-1-(phenylmethyl)propyl]-, 1,1-dimethylethylester
- Carbamicacid, N-[(3-formylphenyl)methyl]-, 1,1-dimethylethyl ester
- Carbamicacid, N-[3-(aminomethyl)phenyl]-, 1,1-dimethylethyl ester
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