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CAS No.: | 694-03-1 |
---|---|
Name: | N-(2-chloroethyl)aziridine |
Article Data: | 3 |
Molecular Structure: | |
Formula: | C4H8ClN |
Molecular Weight: | 105.567 |
Synonyms: | N-(2-Chloroethyl)aziridine;N-(2-Chloroethyl)ethylenimine; |
Density: | 1.132 g/cm3 |
Boiling Point: | 130.169 °C at 760 mmHg |
Flash Point: | 32.525 °C |
PSA: | 3.01000 |
LogP: | 0.47870 |
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The Aziridine,1-(2-chloroethyl)-, with the CAS registry number 694-03-1, is also known as N-(2-Chloroethyl)aziridine. This chemical's molecular formula is C4H8ClN and molecular weight is 105.03. What's more, both its IUPAC name and systematic name are the same which is called 1-(2-Chloroethyl)aziridine.
Physical properties about Aziridine,1-(2-chloroethyl)- are: (1)ACD/LogP: 0.413; (2) # of Rule of 5 Violations: 0 ; (3)ACD/LogD (pH 5.5): -0.58; (4)ACD/LogD (pH 7.4): 0.37; (5)ACD/BCF (pH 5.5): 1.00; (6)ACD/BCF (pH 7.4): 1.09; (7)ACD/KOC (pH 5.5): 4.03; (8)ACD/KOC (pH 7.4): 35.91; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 3.01 Å2; (13)Index of Refraction: 1.49; (14)Molar Refractivity: 26.966 cm3; (15)Molar Volume: 93.259 cm3; (16)Polarizability: 10.69×10-24cm3; (17)Surface Tension: 34.366 dyne/cm; (18)Density: 1.132 g/cm3; (19)Flash Point: 32.525 °C; (20)Enthalpy of Vaporization: 36.782 kJ/mol; (21)Boiling Point: 130.169 °C at 760 mmHg; (22)Vapour Pressure: 9.831 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: ClCCN1CC1
(2) InChI: InChI=1S/C4H8ClN/c5-1-2-6-3-4-6/h1-4H2
(3) InChIKey: YZXPJVLVVIQNPF-UHFFFAOYSA-N