1-Boc-3-methoxycarbonylmethylene-azetidine supplier

Name
1-Boc-3-methoxycarbonylme...
EINECS
CAS No. 1105662-87-0
Density 1.219 g/cm³
Solubility
Melting Point
Formula C₁₁H₁₇NO₄
Boiling Point 303.271 °C at 760 mmHg
Molecular Weight 227.26
Flash Point 137.214 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms tert-Butyl 3-(2-methoxy-2-oxo-ethylidene)azetidine-1-carboxylate;
PSA
LogP

1-Boc-3-methoxycarbonylmethylene-azetidine Specification

The 1-Boc-3-methoxycarbonylmethylene-azetidine, with the CAS registry number 1105662-87-0, is also known as Bocmethoxycarbonylmethylene-azetidine. This chemical's molecular formula is C₁₁H₁₇NO₄ and molecular weight is 227.257. What's more, its systematic name is called tert-Butyl 3-(2-methoxy-2-oxo-ethylidene)azetidine-1-carboxylate.

Physical properties about 1-Boc-3-methoxycarbonylmethylene-azetidine are: (1)ACD/LogP: 1.63; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.627; (4)ACD/LogD (pH 7.4): 1.627; (5)ACD/BCF (pH 5.5): 10.154; (6)ACD/BCF (pH 7.4): 10.154; (7)ACD/KOC (pH 5.5): 182.881; (8)ACD/KOC (pH 7.4): 182.881; (9)#H bond acceptors: 5; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 55.84 Å²; (13)Index of Refraction: 1.551; (14)Molar Refractivity: 59.506 cm³; (15)Molar Volume: 186.422 cm³; (16)Surface Tension: 51.146 dyne/cm; (17)Density: 1.219 g/cm³; (18)Flash Point: 137.214 °C; (19)Enthalpy of Vaporization: 54.355 kJ/mol; (20)Boiling Point: 303.271 °C at 760 mmHg; (21)Vapour Pressure: 0.001 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: CC(C)(C)OC(=O)N1CC(=CC(=O)OC)C1
(2) InChI: InChI=1/C11H17NO4/c1-11(2,3)16-10(14)12-6-8(7-12)5-9(13)15-4/h5H,6-7H2,1-4H3
(3) InChIKey: DHTIDVBYPXKXSK-UHFFFAOYAW

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1-Boc-3-methoxycarbonylme...

1-Boc-3-methoxycarbonylmethylene-azetidine Specification

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