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26408-28-6 | Acetamide, N-[3-[(2-cyanoethyl)amino]-4-methoxyphenyl]-
CAS No: 26408-28-6 Catalog No: AG002T3G MDL No:MFCD00126955
Product Description
Catalog Number:
AG002T3G
Chemical Name:
Acetamide, N-[3-[(2-cyanoethyl)amino]-4-methoxyphenyl]-
CAS Number:
26408-28-6
Molecular Formula:
C12H15N3O2
Molecular Weight:
233.2664
MDL Number:
MFCD00126955
IUPAC Name:
N-[3-(2-cyanoethylamino)-4-methoxyphenyl]acetamide
InChI:
InChI=1S/C12H15N3O2/c1-9(16)15-10-4-5-12(17-2)11(8-10)14-7-3-6-13/h4-5,8,14H,3,7H2,1-2H3,(H,15,16)
InChI Key:
OVTCINJDJPHUBX-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1NCCC#N)NC(=O)C
EC Number:
247-676-5
Properties
Complexity:
297
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
233.116g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
233.271g/mol
Monoisotopic Mass:
233.116g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
74.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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