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154748-49-9

Basic Information
CAS No.: 154748-49-9
Name: Carbamic acid, (3-oxocyclobutyl)-, 1,1-dimethylethyl ester (9CI)
Article Data: 33
Molecular Structure:
Molecular Structure of 154748-49-9 (Carbamic acid, (3-oxocyclobutyl)-, 1,1-dimethylethyl ester (9CI))
Formula: C9H15NO3
Molecular Weight: 185.223
Synonyms: Carbamicacid, (3-oxocyclobutyl)-, 1,1-dimethylethyl ester (9CI);3-(tert-Butyloxycarbonylamino)cyclobutan-1-one;
EINECS: 817-050-1
Density: 1.1 g/cm3
Melting Point: 120-125℃
Boiling Point: 302.1 °C at 760 mmHg
Flash Point: 136.5 °C
Risk Codes: 52-51/53-36/37/38
Safety: 3/9-4-22-26-28-29-35-44
PSA: 55.40000
LogP: 1.63350
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  • tert-Butyl 3-oxocyclobutylcarbamate

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    154748-49-9

    tert-Butyl 3-oxocyclobutylcarbamate

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  • tert-Butyl 3-oxocyclobutylcarbaMate

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    154748-49-9

    tert-Butyl 3-oxocyclobutylcarbaMate

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Specification

The tert-Butyl 3-oxocyclobutylcarbamate is an organic compound with the formula C9H15NO3. The IUPAC name of this chemical is tert-butyl N-(3-oxocyclobutyl)carbamate. With the CAS registry number 154748-49-9, it is also named as carbamic acid, N-(3-oxocyclobutyl)-, 1,1-dimethylethyl ester. The product's category is N-BOC.

Physical properties about tert-Butyl 3-oxocyclobutylcarbamate are: (1)ACD/LogP: 0.37; (2)ACD/LogD (pH 5.5): 0.37; (3)ACD/LogD (pH 7.4): 0.37; (4)ACD/BCF (pH 5.5): 1.13; (5)ACD/BCF (pH 7.4): 1.13; (6)ACD/KOC (pH 5.5): 37.95; (7)ACD/KOC (pH 7.4): 37.95; (8)#H bond acceptors: 4; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 3; (11)Polar Surface Area: 55.4 Å2; (12)Index of Refraction: 1.474; (13)Molar Refractivity: 47.27 cm3; (14)Molar Volume: 168.1 cm3; (15)Polarizability: 18.74×10-24cm3; (16)Surface Tension: 36.7 dyne/cm; (17)Density: 1.1 g/cm3; (18)Flash Point: 136.5 °C; (19)Enthalpy of Vaporization: 54.23 kJ/mol; (20)Boiling Point: 302.1 °C at 760 mmHg; (21)Vapour Pressure: 0.00101 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: CC(C)(C)OC(=O)NC1CC(=O)C1
(2)InChI: InChI=1/C9H15NO3/c1-9(2,3)13-8(12)10-6-4-7(11)5-6/h6H,4-5H2,1-3H3,(H,10,12)
(3)InChIKey: FNHPTFKSPUTESA-UHFFFAOYAJ
(4)Std. InChI: InChI=1S/C9H15NO3/c1-9(2,3)13-8(12)10-6-4-7(11)5-6/h6H,4-5H2,1-3H3,(H,10,12)
(5)Std. InChIKey: FNHPTFKSPUTESA-UHFFFAOYSA-N