Home Other Building Blocks 6-(2-TERT-BUTOXYCARBONYLAMINO-ETHYLAMINO)-NICOTINIC ACID

6-(2-TERT-BUTOXYCARBONYLAMINO-ETHYLAMINO)-NICOTINIC ACID

CAS No.:
904815-08-3
Catalog Number:
AG00GVBZ
Molecular Formula:
C13H19N3O4
Molecular Weight:
281.3077
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Product Description
Catalog Number:
AG00GVBZ
Chemical Name:
6-(2-TERT-BUTOXYCARBONYLAMINO-ETHYLAMINO)-NICOTINIC ACID
CAS Number:
904815-08-3
Molecular Formula:
C13H19N3O4
Molecular Weight:
281.3077
MDL Number:
MFCD06245544
IUPAC Name:
6-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethylamino]pyridine-3-carboxylic acid
InChI:
InChI=1S/C13H19N3O4/c1-13(2,3)20-12(19)15-7-6-14-10-5-4-9(8-16-10)11(17)18/h4-5,8H,6-7H2,1-3H3,(H,14,16)(H,15,19)(H,17,18)
InChI Key:
IESPTOAZDMOCON-UHFFFAOYSA-N
SMILES:
O=C(OC(C)(C)C)NCCNc1ccc(cn1)C(=O)O
Properties
Complexity:
341  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
281.138g/mol
Formal Charge:
0
Heavy Atom Count:
20  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
281.312g/mol
Monoisotopic Mass:
281.138g/mol
Rotatable Bond Count:
7  
Topological Polar Surface Area:
101A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4  
Properties