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CAS No.: | 183062-96-6 |
---|---|
Name: | N-Boc-3-azetidine acetic acid |
Article Data: | 5 |
Molecular Structure: | |
Formula: | C10H17NO4 |
Molecular Weight: | 215.249 |
Synonyms: | [1-(tert-Butoxycarbonyl)azetidin-3-yl]aceticacid; |
Density: | 1.186 g/cm3 |
Melting Point: | 118 °C |
Boiling Point: | 341.628 °C at 760 mmHg |
Flash Point: | 160.411 °C |
Hazard Symbols: | Xn |
Risk Codes: | 22 |
PSA: | 66.84000 |
LogP: | 1.26590 |
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The 3-Azetidineacetic acid,1-[(1,1-dimethylethoxy)carbonyl]-, also known as , is an organic compound with the formula C10H17NO4. With the CAS registry number 183062-96-6, its IUPAC name is 2-[1-[(2-methylpropan-2-yl)oxycarbonyl]azetidin-3-yl]acetic acid.
Physical properties of 3-Azetidineacetic acid,1-[(1,1-dimethylethoxy)carbonyl]-: (1)ACD/LogP: 0.77; (2)ACD/LogD (pH 5.5): -1; (3)ACD/LogD (pH 7.4): -2; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 5; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 5; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 4; (11)Index of Refraction: 1.497; (12)Molar Refractivity: 53.108 cm3; (13)Molar Volume: 181.419 cm3; (14)Surface Tension: 44.752 dyne/cm; (15)Density: 1.186 g/cm3; (16)Flash Point: 160.411 °C; (17)Enthalpy of Vaporization: 64.322 kJ/mol; (18)Boiling Point: 341.628 °C at 760 mmHg; (19)Vapour Pressure: 0 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CC(C)(C)OC(=O)N1CC(C1)CC(=O)O
(2)InChI: InChI=1S/C10H17NO4/c1-10(2,3)15-9(14)11-5-7(6-11)4-8(12)13/h7H,4-6H2,1-3H3,(H,12,13)
(3)InChIKey: VEFHUWJIRFTGRB-UHFFFAOYSA-N