CAS No.681807-59-0,1-BOC-AMINO-2-VINYLCYCLOPROPANECARBOXYLIC ACID ETHYL ESTER Suppliers

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Basic Information

Molecular Structure:
CAS No.:	681807-59-0
Name:	1-BOC-AMINO-2-VINYLCYCLOPROPANECARBOXYLIC ACID ETHYL ESTER
Article Data:	7

Formula:	C₁₃H₂₁NO₄
Molecular Weight:	255.314
Synonyms:	Cyclopropanecarboxylicacid, 1-[[(1,1-dimethylethoxy)carbonyl]amino]-2-ethenyl-, ethyl ester;1-Boc-amino-2-vinylcyclopropanecarboxylic acid ethyl ester;1-tert-Butoxycarbonylamino-2-vinylcyclopropanecarboxylic acid ethyl;
Density:	1.081 g/cm³
Boiling Point:	333.055 °C at 760 mmHg
Flash Point:	155.226 °C
PSA:	64.63000
LogP:	2.40980

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Specification

The Ethyl 2-[(tert-butoxycarbonyl)amino]-3-vinylcyclopropanecarboxylate, with the CAS registry number 681807-59-0, is also known as Cyclopropanecarboxylicacid, 1-[[(1,1-dimethylethoxy)carbonyl]amino]-2-ethenyl-, ethyl ester. It belongs to the product category of Amino Acid Derivatives. This chemical's molecular formula is C₁₃H₂₁NO₄ and formula weight is 255.31. What's more, its IUPAC name is ethyl 2-ethenyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopropane-1-carboxylate.

Physical properties of Ethyl 2-[(tert-butoxycarbonyl)amino]-3-vinylcyclopropanecarboxylate are: (1)ACD/LogP: 2.61; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.61; (4)ACD/BCF (pH 5.5): 56.659; (5)ACD/BCF (pH 7.4): 56.656; (6)ACD/KOC (pH 5.5): 626.042; (7)ACD/KOC (pH 7.4): 626.012; (8)#H bond acceptors: 5; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 7; (11)Polar Surface Area: 64.63 Å²; (12)Index of Refraction: 1.481; (13)Molar Refractivity: 67.267 cm³; (14)Molar Volume: 236.282 cm³; (15)Surface Tension: 36.248 dyne/cm; (16)Density: 1.081 g/cm³; (17)Flash Point: 155.226 °C; (18)Enthalpy of Vaporization: 57.588 kJ/mol; (19)Boiling Point: 333.055 °C at 760 mmHg.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CCOC(=O)C1C(C1NC(=O)OC(C)(C)C)C=C
(2)InChI: InChI=1S/C13H21NO4/c1-6-8-9(11(15)17-7-2)10(8)14-12(16)18-13(3,4)5/h6,8-10H,1,7H2,2-5H3,(H,14,16)
(3)InChIKey: SXVBXWSZPUWEJQ-UHFFFAOYSA-N