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73681-13-7 | Acetamide, N-tert-butyl-N-(1-cyano-2-(3-pyridyl)amidino)-, hydrate
CAS No: 73681-13-7 Catalog No: AG00FI1I MDL No:
Product Description
Catalog Number:
AG00FI1I
Chemical Name:
Acetamide, N-tert-butyl-N-(1-cyano-2-(3-pyridyl)amidino)-, hydrate
CAS Number:
73681-13-7
IUPAC Name:
N-tert-butyl-N-(N-cyano-N'-pyridin-3-ylcarbamimidoyl)acetamide;hydrate
InChI:
InChI=1S/C13H17N5O.H2O/c1-10(19)18(13(2,3)4)12(16-9-14)17-11-6-5-7-15-8-11;/h5-8H,1-4H3,(H,16,17);1H2
InChI Key:
SCQHZIIYUMJRRK-UHFFFAOYSA-N
Properties
Complexity:
401
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
277.154g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
277.328g/mol
Monoisotopic Mass:
277.154g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
82.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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