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