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1-(2-Chloroethyl)aziridine

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Name

1-(2-Chloroethyl)aziridine

EINECS N/A
CAS No. 694-03-1 Density 1.132 g/cm3
PSA 3.01000 LogP 0.47870
Solubility N/A Melting Point N/A
Formula C4H8ClN Boiling Point 130.169 °C at 760 mmHg
Molecular Weight 105.567 Flash Point 32.525 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 694-03-1 (N-(2-chloroethyl)aziridine) Hazard Symbols N/A
Synonyms

N-(2-Chloroethyl)aziridine;N-(2-Chloroethyl)ethylenimine;

Article Data 3

1-(2-Chloroethyl)aziridine Specification

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

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