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137604-98-9 | 2-Butanone, 3-[[(4-aminophenyl)methyl]amino]-3-methyl-, oxime
CAS No: 137604-98-9 Catalog No: AG0013ML MDL No:
Product Description
Catalog Number:
AG0013ML
Chemical Name:
2-Butanone, 3-[[(4-aminophenyl)methyl]amino]-3-methyl-, oxime
CAS Number:
137604-98-9
Molecular Formula:
C12H19N3O
Molecular Weight:
221.2988
IUPAC Name:
N-[3-[(4-aminophenyl)methylamino]-3-methylbutan-2-ylidene]hydroxylamine
InChI:
InChI=1S/C12H19N3O/c1-9(15-16)12(2,3)14-8-10-4-6-11(13)7-5-10/h4-7,14,16H,8,13H2,1-3H3
InChI Key:
PVYPRNUPZXCWLE-UHFFFAOYSA-N
SMILES:
ON=C(C(NCc1ccc(cc1)N)(C)C)C
Properties
Complexity:
243
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:
4
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
221.304g/mol
Monoisotopic Mass:
221.153g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
70.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
1.2
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