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CAS No.: | 16066-84-5 |
---|---|
Name: | TERT-BUTYL-N-METHYLCARBAMATE |
Article Data: | 31 |
Molecular Structure: | |
Formula: | C6H13NO2 |
Molecular Weight: | 131.175 |
Synonyms: | 2-Methyl-2-propanyl methylcarbamate; |
Density: | 0.937 g/cm3 |
Boiling Point: | 176.634 °C at 760 mmHg |
Flash Point: | 60.627 °C |
Appearance: | White to off-white powder |
Hazard Symbols: | T |
Risk Codes: | 25 |
Safety: | 45 |
PSA: | 38.33000 |
LogP: | 1.53180 |
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The Carbamic acid, methyl-, 1,1-dimethylethyl ester, with the CAS registry number 16066-84-5, is also known as 2-Methyl-2-propanyl methylcarbamate. This chemical's molecular formula is C6H13NO2 and molecular weight is 131.09. What's more, its IUPAC name is called tert-Butyl N-methylcarbamate.
Physical properties about Carbamic acid, methyl-, 1,1-dimethylethyl ester are: (1)ACD/LogP: 1.135; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.14; (4)ACD/LogD (pH 7.4): 1.14; (5)ACD/BCF (pH 5.5): 4.29; (6)ACD/BCF (pH 7.4): 4.29; (7)ACD/KOC (pH 5.5): 98.77; (8)ACD/KOC (pH 7.4): 98.77; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 38.33 Å2; (13)Index of Refraction: 1.417; (14)Molar Refractivity: 35.182 cm3; (15)Molar Volume: 139.923 cm3; (16)Polarizability: 13.947×10-24cm3; (17)Surface Tension: 26.896 dyne/cm; (18)Density: 0.937 g/cm3; (19)Flash Point: 60.627 °C; (20)Enthalpy of Vaporization: 41.295 kJ/mol; (21)Boiling Point: 176.634 °C at 760 mmHg; (22)Vapour Pressure: 1.082 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: O=C(OC(C)(C)C)NC
(2) InChI: InChI=1S/C6H13NO2/c1-6(2,3)9-5(8)7-4/h1-4H3,(H,7,8)
(3) InChIKey: JHLVEBNWCCKSGY-UHFFFAOYSA-N