-
Name
Carbamic acid, (3-methylenecyclobutyl)-, 1,1-dimethylethyl ester (9CI)
- EINECS
- CAS No. 130369-04-9
- Article Data9
- CAS DataBase
- Density 1 g/cm3
- Solubility
- Melting Point 95-100°C
- Formula C10H17NO2
- Boiling Point 263.8 °C at 760 mmHg
- Molecular Weight 183.25
- Flash Point 113.3 °C
- Transport Information
- Appearance
- Safety 61
- Risk Codes 50
-
Molecular Structure
- Hazard Symbols N
- Synonyms (3-Methylenecyclobutyl)carbamic acid tert-butyl ester;
- PSA 38.33000
- LogP 2.62060
Carbamic acid,N-(3-methylenecyclobutyl)-, 1,1-dimethylethyl ester 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
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