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113694-82-9 | Butanoic acid, 4-[(3-pyridinylcarbonyl)amino]-, compd. with 2-aminoethanol (1:1)
CAS No: 113694-82-9 Catalog No: AG0009CE MDL No:
Product Description
Catalog Number:
AG0009CE
Chemical Name:
Butanoic acid, 4-[(3-pyridinylcarbonyl)amino]-, compd. with 2-aminoethanol (1:1)
CAS Number:
113694-82-9
Molecular Formula:
C12H19N3O4
Molecular Weight:
269.2970
IUPAC Name:
2-aminoethanol;4-(pyridine-3-carbonylamino)butanoic acid
InChI:
InChI=1S/C10H12N2O3.C2H7NO/c13-9(14)4-2-6-12-10(15)8-3-1-5-11-7-8;3-1-2-4/h1,3,5,7H,2,4,6H2,(H,12,15)(H,13,14);4H,1-3H2
InChI Key:
SCZUODTVQSLJJZ-UHFFFAOYSA-N
SMILES:
OC(=O)CCCNC(=O)c1cccnc1.NCCO
Properties
Complexity:
241
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
269.138g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
269.301g/mol
Monoisotopic Mass:
269.138g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
126A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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