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841222-87-5 | 1-(4,6-Dimethylpyrimidin-2-yl);piperidine-3-carboxylic acid
CAS No: 841222-87-5 Catalog No: AG004PLW MDL No:MFCD05251621
Product Description
Catalog Number:
AG004PLW
Chemical Name:
1-(4,6-Dimethylpyrimidin-2-yl);piperidine-3-carboxylic acid
CAS Number:
841222-87-5
Molecular Formula:
C12H17N3O2
Molecular Weight:
235.2823
MDL Number:
MFCD05251621
IUPAC Name:
1-(4,6-dimethylpyrimidin-2-yl)piperidine-3-carboxylic acid
InChI:
InChI=1S/C12H17N3O2/c1-8-6-9(2)14-12(13-8)15-5-3-4-10(7-15)11(16)17/h6,10H,3-5,7H2,1-2H3,(H,16,17)
InChI Key:
YCSSRSNBRMYUKP-UHFFFAOYSA-N
SMILES:
OC(=O)C1CCCN(C1)c1nc(C)cc(n1)C
Properties
Complexity:
275
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
235.132g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
235.287g/mol
Monoisotopic Mass:
235.132g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
66.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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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