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| CAS No.: | 130369-04-9 |
|---|---|
| Name: | Carbamic acid, (3-methylenecyclobutyl)-, 1,1-dimethylethyl ester (9CI) |
| Molecular Structure: | |
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| Formula: | C10H17NO2 |
| Molecular Weight: | 183.25 |
| Synonyms: | (3-Methylenecyclobutyl)carbamic acid tert-butyl ester; |
| Density: | 1 g/cm3 |
| Melting Point: | 95-100°C |
| Boiling Point: | 263.8 °C at 760 mmHg |
| Flash Point: | 113.3 °C |
| Hazard Symbols: | N |
| Risk Codes: | 50 |
| Safety: | 61 |
| PSA: | 38.33000 |
| LogP: | 2.62060 |
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Specification
The Carbamic acid,N-(3-methylenecyclobutyl)-, 1,1-dimethylethyl ester, with the CAS registry number of 130369-04-9, is also known as (3-Methylenecyclobutyl)carbamic acid tert-butyl ester. It belongs to the product category of N-BOC. Its molecular formula is C10H17NO2 and molecular weight is 183.24748. What's more, its systematic name is tert-Butyl N-(3-methylenecyclobutyl)carbamate.
Physical properties about the Carbamic acid,N-(3-methylenecyclobutyl)-, 1,1-dimethylethyl ester are: (1)ACD/LogP: 2.36; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.36; (4)ACD/LogD (pH 7.4): 2.36; (5)#H bond acceptors: 3; (6)#H bond donors: 1; (7)#Freely Rotating Bonds: 3; (8)Polar Surface Area: 38.33 Å2; (9)Index of Refraction: 1.474; (10)Molar Refractivity: 51.33 cm3; (11)Molar Volume: 182.5 cm3; (12)Surface Tension: 32 dyne/cm; (13)Density: 1 g/cm3; (14)Flash Point: 113.3 °C; (15)Enthalpy of Vaporization: 50.16 kJ/mol; (16)Boiling Point: 263.8 °C at 760 mmHg; (17)Vapour Pressure: 0.0101 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: CC(C)(C)OC(=O)NC1CC(=C)C1
(2) InChI: InChI=1/C10H17NO2/c1-7-5-8(6-7)11-9(12)13-10(2,3)4/h8H,1,5-6H2,2-4H3,(H,11,12)
(3) InChIKey: UKVCZCZNTKQCCW-UHFFFAOYAE