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| CAS No.: | 154748-63-7 |
|---|---|
| Name: | Carbamic acid, (3-hydroxycyclobutyl)-, 1,1-dimethylethyl ester (9CI) |
| Article Data: | 22 |
| Molecular Structure: | |
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| Formula: | C9H17NO3 |
| Molecular Weight: | 187.239 |
| Synonyms: | Carbamicacid, (3-hydroxycyclobutyl)-, 1,1-dimethylethyl ester (9CI);(3-Hydroxycyclobutyl)carbamic acid tert-butyl ester;tert-Butyl (3-hydroxycyclobutyl)carbamate; |
| Density: | 1.107 g/cm3 |
| Boiling Point: | 303.672 °C at 760 mmHg |
| Flash Point: | 137.456 °C |
| PSA: | 58.56000 |
| LogP: | 1.42530 |
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Specification
The (3-Hydroxycyclobutyl)carbamate tert-butyl ester, with the CAS registry number 154748-63-7, is also known as tert-Butyl (3-hydroxycyclobutyl)carbamate. It belongs to the product category of N-Boc. This chemical's molecular formula is C9H17NO3 and molecular weight is 187.24. What's more, its systematic name is 2-Methyl-2-propanyl (3-hydroxycyclobutyl)carbamate.
Physical properties of (3-Hydroxycyclobutyl)carbamate tert-butyl ester are: (1)ACD/LogP: 0.598; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.60; (4)ACD/LogD (pH 7.4): 0.60; (5)ACD/BCF (pH 5.5): 1.68; (6)ACD/BCF (pH 7.4): 1.68; (7)ACD/KOC (pH 5.5): 50.38; (8)ACD/KOC (pH 7.4): 50.38; (9)#H bond acceptors: 4; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 58.56 Å2; (13)Index of Refraction: 1.487; (14)Molar Refractivity: 48.676 cm3; (15)Molar Volume: 169.215 cm3; (16)Polarizability: 19.297×10-24cm3; (17)Surface Tension: 39.4 dyne/cm; (18)Density: 1.107 g/cm3; (19)Flash Point: 137.456 °C; (20)Enthalpy of Vaporization: 63.092 kJ/mol; (21)Boiling Point: 303.672 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: OC1CC(NC(=O)OC(C)(C)C)C1
(2)Std. InChI: InChI=1S/C9H17NO3/c1-9(2,3)13-8(12)10-6-4-7(11)5-6/h6-7,11H,4-5H2,1-3H3,(H,10,12)
(3)Std. InChIKey: WSUMHFNEPOYLJM-UHFFFAOYSA-N