Basic information
- Name:
Carbamic acid,N-[(3R)-2-oxo-3-oxetanyl]-, 1,1-dimethylethyl ester
- Superlist Name:
- (R)-(2-Oxo-3-oxetanyl)carbamic acid tert-butyl ester
- CAS No.:
126330-77-6
- Molecular Structure:
![Molecular Structure of 126330-77-6 (Carbamic acid,N-[(3R)-2-oxo-3-oxetanyl]-, 1,1-dimethylethyl ester)](http://www.lookchem.com/300w/2010/074/126330-77-6.jpg)
- Formula:
- C8H13NO4
- Molecular Weight:
- 187.19312
- Synonyms:
- Carbamic acid,[(3R)-2-oxo-3-oxetanyl]-, 1,1-dimethylethyl ester (9CI);Carbamicacid, (2-oxo-3-oxetanyl)-, 1,1-dimethylethyl ester, (R)-;tert-Butyl [(3R)-2-oxooxetan-3-yl]carbamate;
- Density:
- 1.185 g/cm3
- Boiling Point:
- 318.989 °C at 760 mmHg
- Flash Point:
- 146.72 °C
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Specification
The Carbamic acid,N-[(3R)-2-oxo-3-oxetanyl]-, 1,1-dimethylethyl ester, with the CAS registry number 126330-77-6, has the systematic name of tert-butyl [(3R)-2-oxooxetan-3-yl]carbamate. It belongs to the product category of N-BOC. And the molecular formula of this chemical is C8H13NO4.
The physical properties of Carbamic acid,N-[(3R)-2-oxo-3-oxetanyl]-, 1,1-dimethylethyl ester are as followings: (1)ACD/LogP: -0.60; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0; (4)ACD/LogD (pH 7.4): 0; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 15; (8)ACD/KOC (pH 7.4): 15; (9)#H bond acceptors: 5; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 64.63 Å2; (13)Index of Refraction: 1.474; (14)Molar Refractivity: 44.39 cm3; (15)Molar Volume: 158.025 cm3; (16)Polarizability: 17.598×10-24cm3; (17)Surface Tension: 38.779 dyne/cm; (18)Density: 1.185 g/cm3; (19)Flash Point: 146.72 °C; (20)Enthalpy of Vaporization: 56.054 kJ/mol; (21)Boiling Point: 318.989 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OC(C)(C)C)N[C@H]1C(=O)OC1
(2)InChI: InChI=1/C8H13NO4/c1-8(2,3)13-7(11)9-5-4-12-6(5)10/h5H,4H2,1-3H3,(H,9,11)/t5-/m1/s1
(3)InChIKey: HRJDEHQWXAPGBG-RXMQYKEDBV