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72995-81-4 | 2,5-Piperazinedione,3-(1-aziridinylmethyl)-6-methylene-, (R)- (9CI)
CAS No: 72995-81-4 Catalog No: AG005CYR MDL No:
Product Description
Catalog Number:
AG005CYR
Chemical Name:
2,5-Piperazinedione,3-(1-aziridinylmethyl)-6-methylene-, (R)- (9CI)
CAS Number:
72995-81-4
Molecular Formula:
C8H11N3O2
Molecular Weight:
181.1918
IUPAC Name:
(3R)-3-(aziridin-1-ylmethyl)-6-methylidenepiperazine-2,5-dione
InChI:
InChI=1S/C8H11N3O2/c1-5-7(12)10-6(8(13)9-5)4-11-2-3-11/h6H,1-4H2,(H,9,13)(H,10,12)/t6-/m1/s1
InChI Key:
DASYOBYZSFHRHS-ZCFIWIBFSA-N
SMILES:
O=C1NC(=C)C(=O)N[C@@H]1CN1CC1
Properties
Complexity:
283
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
181.085g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
181.195g/mol
Monoisotopic Mass:
181.085g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
61.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.8
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