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CAS No.: | 77184-95-3 |
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Name: | (R)-2-BENZYL-AZIRIDINE |
Article Data: | 4 |
Molecular Structure: | |
Formula: | C9H11N |
Molecular Weight: | 133.193 |
Synonyms: | Aziridine,2-(phenylmethyl)-, (R)- (9CI); |
Density: | 1.044 g/cm3 |
Boiling Point: | 204.6 °C at 760 mmHg |
Flash Point: | 76.5 °C |
PSA: | 21.94000 |
LogP: | 1.52970 |
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The Aziridine,2-(phenylmethyl)-, (2R)-, with the CAS registry number 77184-95-3, is also known as Aziridine,2-(phenylmethyl)-, (R)- (9CI). This chemical's molecular formula is C9H11N and molecular weight is133.1903. What's more, its IUPAC name is (2R)-2-Benzylaziridine.
Physical properties about this chemical are: (1) ACD/LogP: 1.37; (2) # of Rule of 5 Violations: 0; (3) ACD/LogD (pH 7.4): 0.56; (4) #H bond acceptors: 1; (5) #H bond donors: 1; (6) #Freely Rotating Bonds: 2; (7) Polar Surface Area: 21.94 Å2; (8) Index of Refraction: 1.568; (9) Molar Refractivity: 41.73 cm3; (10) Molar Volume: 127.5 cm3; (11) Polarizability: 16.54×10-24 cm3; (12) Surface Tension: 41.5 dyne/cm; (13) Density: 1.044 g/cm3; (14) Flash Point: 76.5 °C; (15) Enthalpy of Vaporization: 44.08 kJ/mol; (16) Boiling Point: 204.6 °C at 760 mmHg; (17) Vapour Pressure: 0.261 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: c2cccc(C[C@@H]1CN1)c2
(2) InChI: InChI=1/C9H11N/c1-2-4-8(5-3-1)6-9-7-10-9/h1-5,9-10H,6-7H2/t9-/m1/s1
(3) InChIKey: LKQAJXTWYDNYHK-SECBINFHBH