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Home Halogens 2-[butyl(methyl)amino]-5-chloropyrimidine-4-carboxylic acid

2-[butyl(methyl)amino]-5-chloropyrimidine-4-carboxylic acid

CAS No.:
329268-85-1
Catalog Number:
AG019W2V
Molecular Formula:
C10H14ClN3O2
Molecular Weight:
243.6901
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Product Description
Catalog Number:
AG019W2V
Chemical Name:
2-[butyl(methyl)amino]-5-chloropyrimidine-4-carboxylic acid
CAS Number:
329268-85-1
Molecular Formula:
C10H14ClN3O2
Molecular Weight:
243.6901
MDL Number:
MFCD02709790
IUPAC Name:
2-[butyl(methyl)amino]-5-chloropyrimidine-4-carboxylic acid
InChI:
InChI=1S/C10H14ClN3O2/c1-3-4-5-14(2)10-12-6-7(11)8(13-10)9(15)16/h6H,3-5H2,1-2H3,(H,15,16)
InChI Key:
YZNBLNJBPVVSBL-UHFFFAOYSA-N
SMILES:
CCCCN(c1ncc(c(n1)C(=O)O)Cl)C
Properties
Complexity:
240  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
243.077g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
243.691g/mol
Monoisotopic Mass:
243.077g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
66.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4  
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