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17315-88-7 | Aziridine, 1,1',1''-(s-phenenyltricarbonyl)tris[2-methyl- (7CI,8CI)
CAS No: 17315-88-7 Catalog No: AG001YO2 MDL No:
Product Description
Catalog Number:
AG001YO2
Chemical Name:
Aziridine, 1,1',1''-(s-phenenyltricarbonyl)tris[2-methyl- (7CI,8CI)
CAS Number:
17315-88-7
Molecular Formula:
C18H21N3O3
Molecular Weight:
327.3776
IUPAC Name:
[3,5-bis(2-methylaziridine-1-carbonyl)phenyl]-(2-methylaziridin-1-yl)methanone
InChI:
InChI=1S/C18H21N3O3/c1-10-7-19(10)16(22)13-4-14(17(23)20-8-11(20)2)6-15(5-13)18(24)21-9-12(21)3/h4-6,10-12H,7-9H2,1-3H3
InChI Key:
PBWSPPTYGLDOFW-UHFFFAOYSA-N
SMILES:
CC1CN1C(=O)c1cc(cc(c1)C(=O)N1CC1C)C(=O)N1CC1C
NSC Number:
21592
Properties
Complexity:
499
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
327.158g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
327.384g/mol
Monoisotopic Mass:
327.158g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
60.2A^2
Undefined Atom Stereocenter Count:
3
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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