Home Other Building Blocks 1,3-DIBENZYL-5-CYANOHEXAHYDROPYRIMIDINE

1,3-DIBENZYL-5-CYANOHEXAHYDROPYRIMIDINE

CAS No.:
86236-77-3
Catalog Number:
AG003DIV
Molecular Formula:
C19H21N3
Molecular Weight:
291.3901
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Product Description
Catalog Number:
AG003DIV
Chemical Name:
1,3-DIBENZYL-5-CYANOHEXAHYDROPYRIMIDINE
CAS Number:
86236-77-3
Molecular Formula:
C19H21N3
Molecular Weight:
291.3901
MDL Number:
MFCD00051959
IUPAC Name:
1,3-dibenzyl-1,3-diazinane-5-carbonitrile
InChI:
InChI=1S/C19H21N3/c20-11-19-14-21(12-17-7-3-1-4-8-17)16-22(15-19)13-18-9-5-2-6-10-18/h1-10,19H,12-16H2
InChI Key:
PSDQOOQJPHTEIA-UHFFFAOYSA-N
SMILES:
N#CC1CN(CN(C1)Cc1ccccc1)Cc1ccccc1
Properties
Complexity:
345  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
291.174g/mol
Formal Charge:
0
Heavy Atom Count:
22  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
291.398g/mol
Monoisotopic Mass:
291.174g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
30.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9  
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
Properties