tert-Butyl 2-(tert-butoxycarbonylamino)hex-5-enoate supplier

Name
TERT-BUTYL 2-(TERT-BUTOXYCARBONYLAMINO)HEX-5-ENOATE
EINECS
CAS No. 151294-93-8
Article Data5
CAS DataBase
Density 0.993 g/cm³
Solubility
Melting Point
Formula C₁₅H₂₇NO₄
Boiling Point 371.086 °C at 760 mmHg
Molecular Weight 285.384
Flash Point 178.227 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms tert-Butyl 2-(tert-butoxycarbonylamino)hex-5-enoate;
PSA 64.63000
LogP 3.57850

tert-Butyl 2-(tert-butoxycarbonylamino)hex-5-enoate Specification

The systematic name of tert-Butyl 2-(tert-butoxycarbonylamino)hex-5-enoate is tert-butyl 2-[(tert-butoxycarbonyl)amino]hex-5-enoate. With the CAS registry number 151294-93-8, it is also named as 5-Hexenoic acid,2-[[(1,1-dimethylethoxy)carbonyl]amino]-, 1,1-dimethylethyl ester. In addition, its molecular formula is C₁₅H₂₇NO₄ and molecular weight is 285.38.

The other characteristics of tert-Butyl 2-(tert-butoxycarbonylamino)hex-5-enoate can be summarized as: (1)ACD/LogP: 3.49; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4; (4)ACD/LogD (pH 7.4): 4; (5)ACD/BCF (pH 5.5): 793; (6)ACD/BCF (pH 7.4): 793; (7)ACD/KOC (pH 5.5): 4139; (8)ACD/KOC (pH 7.4): 4138; (9)#H bond acceptors: 5; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 9; (12)Polar Surface Area: 64.63 Å²; (13)Index of Refraction: 1.457; (14)Molar Refractivity: 78.302 cm³; (15)Molar Volume: 287.484 cm³; (16)Polarizability: 31.041×10^-24cm³; (17)Surface Tension: 31.844 dyne/cm; (18)Density: 0.993 g/cm³; (19)Flash Point: 178.227 °C; (20)Enthalpy of Vaporization: 61.806 kJ/mol; (21)Boiling Point: 371.086 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25 °C.

People can use the following data to convert to the molecule structure.
(1)SMILES: CC(C)(C)OC(=O)NC(CCC=C)C(=O)OC(C)(C)C
(2)InChI: InChI=1/C15H27NO4/c1-8-9-10-11(12(17)19-14(2,3)4)16-13(18)20-15(5,6)7/h8,11H,1,9-10H2,2-7H3,(H,16,18)
(3)InChIKey: HCCCYDLUFISNCU-UHFFFAOYAY
(4)Std. InChI: InChI=1S/C15H27NO4/c1-8-9-10-11(12(17)19-14(2,3)4)16-13(18)20-15(5,6)7/h8,11H,1,9-10H2,2-7H3,(H,16,18)
(5)Std. InChIKey: HCCCYDLUFISNCU-UHFFFAOYSA-N

Product Name

TERT-BUTYL 2-(TERT-BUTOXYCARBONYLAMINO)HEX-5-ENOATE

tert-Butyl 2-(tert-butoxycarbonylamino)hex-5-enoate Specification

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