-
Name
N-4-FMOC-AMINOCYCLOHEXANONE
- EINECS
- CAS No. 391248-11-6
- Density 1.25g/cm3
- Solubility
- Melting Point
- Formula C21H21NO3
- Boiling Point 547.3 °C at 760 mmHg
- Molecular Weight 335.4
- Flash Point 284.8 °C
- Transport Information
- Appearance
- Safety
- Risk Codes
-
Molecular Structure
- Hazard Symbols
- Synonyms N-4-FMOC-AMINOCYCLOHEXANONE;(4-OXO-CYCLOHEXYL)-CARBAMIC ACID 9H-FLUOREN-9-YLMETHYL ESTER;4-N-FMOC-AMINO-CYCLOHEXANONE;Carbamic acid, (4-oxocyclohexyl)-, 9H-fluoren-9-ylmethyl ester (9CI);(9H-Fluoren-9-yl)Methyl (4-oxocyclohexyl)carbaMate
- PSA 55.40000
- LogP 4.42770
Carbamic acid,(4-oxocyclohexyl)-, 9H-fluoren-9-ylmethyl ester (9CI) Specification
The Carbamic acid,(4-oxocyclohexyl)-, 9H-fluoren-9-ylmethyl ester (9CI), with CAS registry number 391248-11-6, belongs to the following product category: FMOC. It has the systematic name of 9H-fluoren-9-ylmethyl (4-oxocyclohexyl)carbamate. And the chemical formula of this chemical is C21H21NO3.
Physical properties of Carbamic acid,(4-oxocyclohexyl)-, 9H-fluoren-9-ylmethyl ester (9CI): (1)ACD/LogP: 3.59; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.59; (4)ACD/LogD (pH 7.4): 3.59; (5)ACD/BCF (pH 5.5): 315.25; (6)ACD/BCF (pH 7.4): 315.23; (7)ACD/KOC (pH 5.5): 2138.64; (8)ACD/KOC (pH 7.4): 2138.57; (9)#H bond acceptors: 4; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 46.61 Å2; (13)Index of Refraction: 1.624; (14)Molar Refractivity: 94.62 cm3; (15)Molar Volume: 267.6 cm3; (16)Polarizability: 37.51×10-24cm3; (17)Surface Tension: 55.4 dyne/cm; (18)Density: 1.25 g/cm3; (19)Flash Point: 284.8 °C; (20)Enthalpy of Vaporization: 82.66 kJ/mol; (21)Boiling Point: 547.3 °C at 760 mmHg; (22)Vapour Pressure: 4.95E-12 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C4CCC(NC(=O)OCC3c1ccccc1c2c3cccc2)CC4
(2)InChI: InChI=1/C21H21NO3/c23-15-11-9-14(10-12-15)22-21(24)25-13-20-18-7-3-1-5-16(18)17-6-2-4-8-19(17)20/h1-8,14,20H,9-13H2,(H,22,24)
(3)InChIKey: PGHGDSRIILPGMC-UHFFFAOYAZ
(4)Std. InChI: InChI=1S/C21H21NO3/c23-15-11-9-14(10-12-15)22-21(24)25-13-20-18-7-3-1-5-16(18)17-6-2-4-8-19(17)20/h1-8,14,20H,9-13H2,(H,22,24)
(5)Std. InChIKey: PGHGDSRIILPGMC-UHFFFAOYSA-N
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