Basic Information | Post buying leads | Suppliers | Cas Database |
Name |
1-Benzyl-aziridine-2-carboxylic acid ethyl ester |
EINECS | N/A |
CAS No. | 34943-06-1 | Density | 1.161 g/cm3 |
PSA | 29.31000 | LogP | 1.37180 |
Solubility | N/A | Melting Point |
N/A |
Formula | C12H15NO2 | Boiling Point | 270.719 °C at 760 mmHg |
Molecular Weight | 205.257 | Flash Point | 99.486 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
LogP |
Article Data | 8 |
This chemical is called 1-Benzyl-aziridine-2-carboxylic acid ethyl ester, and its systematic name is ethyl 1-benzylaziridine-2-carboxylate. With the molecular formula of C12H15NO2, its molecular weight is 205.25. The CAS registry number of this chemical is 34943-06-1.
Other characteristics of the 1-Benzyl-aziridine-2-carboxylic acid ethyl ester can be summarised as followings: (1)ACD/LogP: 0.17; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2; (4)ACD/LogD (pH 7.4): 2; (5)ACD/BCF (pH 5.5): 10; (6)ACD/BCF (pH 7.4): 11; (7)ACD/KOC (pH 5.5): 175; (8)ACD/KOC (pH 7.4): 198; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 29.31 Å2; (13)Index of Refraction: 1.565; (14)Molar Refractivity: 57.54 cm3; (15)Molar Volume: 176.723 cm3; (16)Polarizability: 22.811×10-24cm3; (17)Surface Tension: 47.659 dyne/cm; (18)Density: 1.161 g/cm3; (19)Flash Point: 99.486 °C; (20)Enthalpy of Vaporization: 50.891 kJ/mol; (21)Boiling Point: 270.719 °C at 760 mmHg; (22)Vapour Pressure: 0.007 mmHg at 25°C.
You can still convert the following datas into molecular structure:
1.SMILES: O=C(OCC)C2N(Cc1ccccc1)C2
2.InChI: InChI=1/C12H15NO2/c1-2-15-12(14)11-9-13(11)8-10-6-4-3-5-7-10/h3-7,11H,2,8-9H2,1H3
3.InChIKey: KTFLKESPVAEOIJ-UHFFFAOYAD