CAS No.790600-78-1,3-Azetidinecarboxylicacid,1,1-dimethylethylester(9CI) Suppliers

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Basic Information

Molecular Structure:
CAS No.:	790600-78-1
Name:	3-Azetidinecarboxylicacid,1,1-dimethylethylester(9CI)

Formula:	C₈H₁₅NO₂
Molecular Weight:	157.213
Synonyms:	tert-Butylazetidine-3-carboxylate;
Density:	1.02 g/cm³
Boiling Point:	196.455 °C at 760 mmHg
Flash Point:	72.614 °C
PSA:	38.33000
LogP:	0.87630

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Specification

The CAS registry number of 3-Azetidinecarboxylicacid, 1,1-dimethylethyl ester is 790600-78-1. The IUPAC name is tert-butyl azetidine-3-carboxylate. In addition, the molecular formula is C₈H₁₅NO₂ and the molecular weight is 157.21. What's more, it belongs to the class of Carboxylicester and should be stored in a cool and dry place.

Physical properties about 3-Azetidinecarboxylicacid, 1,1-dimethylethyl ester are: (1)ACD/LogP: -0.28; (2)# of Rule of 5 Violations: 0; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 1; (6)ACD/KOC (pH 7.4): 1; (7)#H bond acceptors: 3; (8)#H bond donors: 1; (9)#Freely Rotating Bonds: 3; (10)Polar Surface Area: 38.33 Å²; (11)Index of Refraction: 1.457; (12)Molar Refractivity: 41.998 cm³; (13)Molar Volume: 154.192 cm³; (14)Polarizability: 16.649 ×10^-24cm³; (15)Surface Tension: 32.739 dyne/cm; (16)Density: 1.02 g/cm³; (17)Flash Point: 72.614 °C; (18)Enthalpy of Vaporization: 43.265 kJ/mol; (19)Boiling Point: 196.455 °C at 760 mmHg; (20)Vapour Pressure: 0.398 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OC(C)(C)C)C1CNC1
(2)InChI: InChI=1/C8H15NO2/c1-8(2,3)11-7(10)6-4-9-5-6/h6,9H,4-5H2,1-3H3
(3)InChIKey: DYEPMFDUWLPBKL-UHFFFAOYAF