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832676-80-9 | Butanamide, 2-[[(2-aminophenyl)methyl]amino]-3-methyl-
CAS No: 832676-80-9 Catalog No: AG004YYB MDL No:
Product Description
Catalog Number:
AG004YYB
Chemical Name:
Butanamide, 2-[[(2-aminophenyl)methyl]amino]-3-methyl-
CAS Number:
832676-80-9
Molecular Formula:
C12H19N3O
Molecular Weight:
221.2988
IUPAC Name:
2-[(2-aminophenyl)methylamino]-3-methylbutanamide
InChI:
InChI=1S/C12H19N3O/c1-8(2)11(12(14)16)15-7-9-5-3-4-6-10(9)13/h3-6,8,11,15H,7,13H2,1-2H3,(H2,14,16)
InChI Key:
SFQWNXVNQMSGPX-UHFFFAOYSA-N
SMILES:
CC(C(C(=O)N)NCc1ccccc1N)C
Properties
Complexity:
230
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
221.153g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
221.304g/mol
Monoisotopic Mass:
221.153g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
81.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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