Home Other Building Blocks 4-[(adamantan-1-ylformamido)methyl]benzoic acid

4-[(adamantan-1-ylformamido)methyl]benzoic acid

CAS No.:
848316-29-0
Catalog Number:
AG019OJ6
Molecular Formula:
C19H23NO3
Molecular Weight:
313.3908
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Product Description
Catalog Number:
AG019OJ6
Chemical Name:
4-[(adamantan-1-ylformamido)methyl]benzoic acid
CAS Number:
848316-29-0
Molecular Formula:
C19H23NO3
Molecular Weight:
313.3908
MDL Number:
MFCD07330843
IUPAC Name:
4-[(adamantane-1-carbonylamino)methyl]benzoic acid
InChI:
InChI=1S/C19H23NO3/c21-17(22)16-3-1-12(2-4-16)11-20-18(23)19-8-13-5-14(9-19)7-15(6-13)10-19/h1-4,13-15H,5-11H2,(H,20,23)(H,21,22)
InChI Key:
MWRRKIOCVXHVSL-UHFFFAOYSA-N
SMILES:
O=C(C12CC3CC(C2)CC(C1)C3)NCc1ccc(cc1)C(=O)O
Properties
Complexity:
452  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
313.168g/mol
Formal Charge:
0
Heavy Atom Count:
23  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
313.397g/mol
Monoisotopic Mass:
313.168g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
66.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1  
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