Ethyl 2-amino-3-cyclobutylpropanoate supplier

Name
Ethyl 2-amino-3-cyclobutylpropanoate
EINECS
CAS No. 394735-17-2
Density 1.034 g/cm³
Solubility
Melting Point
Formula C₉H₁₇NO₂
Boiling Point 227.8 °C at 760 mmHg
Molecular Weight 171.239
Flash Point 95 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Ethyl 2-amino-3-cyclobutylpropanoate;Ethyl 3-cyclobutylalaninate;
PSA 52.32000
LogP 1.76730

Ethyl 2-amino-3-cyclobutylpropanoate Specification

The systematic name of Ethyl 2-amino-3-cyclobutylpropanoate is ethyl 3-cyclobutylalaninate. With the CAS registry number 394735-17-2, it is also named as Cyclobutanepropanoicacid, a-amino-, ethyl ester. In addition, its molecular formula is C₉H₁₇NO₂ and molecular weight is 171.24.

The other characteristics of Ethyl 2-amino-3-cyclobutylpropanoate can be summarized as: (1)ACD/LogP: 1.51; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 7.4): 0.72; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1.35; (6)ACD/KOC (pH 5.5): 1; (7)ACD/KOC (pH 7.4): 25.84; (8)#H bond acceptors: 3; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 6; (11)Polar Surface Area: 52.32 Å²; (12)Index of Refraction: 1.478; (13)Molar Refractivity: 46.94 cm³; (14)Molar Volume: 165.6 cm³; (15)Polarizability: 18.6×10^-24cm³; (16)Surface Tension: 39.3 dyne/cm; (17)Density: 1.034 g/cm³; (18)Flash Point: 95 °C; (19)Enthalpy of Vaporization: 46.43 kJ/mol; (20)Boiling Point: 227.8 °C at 760 mmHg; (21)Vapour Pressure: 0.0761 mmHg at 25 °C.

People can use the following data to convert to the molecule structure.
(1)SMILES: O=C(OCC)C(N)CC1CCC1
(2)InChI: InChI=1/C9H17NO2/c1-2-12-9(11)8(10)6-7-4-3-5-7/h7-8H,2-6,10H2,1H3
(3)InChIKey: LBMYKRXWOHTRIK-UHFFFAOYAS
(4)Std. InChI: InChI=1S/C9H17NO2/c1-2-12-9(11)8(10)6-7-4-3-5-7/h7-8H,2-6,10H2,1H3
(5)Std. InChIKey: LBMYKRXWOHTRIK-UHFFFAOYSA-N

Product Name

Ethyl 2-amino-3-cyclobutylpropanoate

Ethyl 2-amino-3-cyclobutylpropanoate Specification

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