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18366-49-9 | Aziridine, 1-(1,1-dimethylethyl)-2-phenyl-
CAS No: 18366-49-9 Catalog No: AG0027SF MDL No:
Product Description
Catalog Number:
AG0027SF
Chemical Name:
Aziridine, 1-(1,1-dimethylethyl)-2-phenyl-
CAS Number:
18366-49-9
Molecular Formula:
C12H17N
Molecular Weight:
175.2701
IUPAC Name:
1-tert-butyl-2-phenylaziridine
InChI:
InChI=1S/C12H17N/c1-12(2,3)13-9-11(13)10-7-5-4-6-8-10/h4-8,11H,9H2,1-3H3
InChI Key:
MVWNEMYDQHKAFY-UHFFFAOYSA-N
SMILES:
CC(N1CC1c1ccccc1)(C)C
NSC Number:
101288
Properties
Complexity:
174
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
175.136g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
175.275g/mol
Monoisotopic Mass:
175.136g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
Literature
| Title | Journal |
|---|---|
| A theoretical study of rhodium(I) catalyzed carbonylative ring expansion of aziridines to beta-lactams: crucial activation of the breaking C-N bond by hyperconjugation. | The Journal of organic chemistry 20060915 |
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