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705-05-5 | 1-butyldihydropyrimidine-2,4(1h,3h)-dione
CAS No: 705-05-5 Catalog No: AG005IGT MDL No:
Product Description
Catalog Number:
AG005IGT
Chemical Name:
1-butyldihydropyrimidine-2,4(1h,3h)-dione
CAS Number:
705-05-5
Molecular Formula:
C8H14N2O2
Molecular Weight:
170.2090
IUPAC Name:
1-butyl-1,3-diazinane-2,4-dione
InChI:
InChI=1S/C8H14N2O2/c1-2-3-5-10-6-4-7(11)9-8(10)12/h2-6H2,1H3,(H,9,11,12)
InChI Key:
SAZPCUUICLFRKE-UHFFFAOYSA-N
SMILES:
CCCCN1CCC(=O)NC1=O
NSC Number:
52848
Properties
Complexity:
192
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
170.106g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
170.212g/mol
Monoisotopic Mass:
170.106g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
49.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.3
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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