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Home > Nitro Compounds > 4064-97-5
4064-97-5 | 1,3-Dibenzyl-5-methyl-5-nitro-1,3-diazinane
CAS No: 4064-97-5 Catalog No: AG01EVUL MDL No:
Product Description
Catalog Number:
AG01EVUL
Chemical Name:
1,3-Dibenzyl-5-methyl-5-nitro-1,3-diazinane
CAS Number:
4064-97-5
Molecular Formula:
C19H23N3O2
Molecular Weight:
325.4048
IUPAC Name:
1,3-dibenzyl-5-methyl-5-nitro-1,3-diazinane
InChI:
InChI=1S/C19H23N3O2/c1-19(22(23)24)14-20(12-17-8-4-2-5-9-17)16-21(15-19)13-18-10-6-3-7-11-18/h2-11H,12-16H2,1H3
InChI Key:
SVDFJLBPZLOQLS-UHFFFAOYSA-N
SMILES:
CC1(CN(CN(C1)Cc1ccccc1)Cc1ccccc1)[N+](=O)[O-]
Properties
Complexity:
383
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
325.179g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
325.412g/mol
Monoisotopic Mass:
325.179g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
52.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
Literature
| Title | Journal |
|---|---|
| Microsphere-based protease assays and screening application for lethal factor and factor Xa. | Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501 |
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