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246864-36-8 | 1,4-Benzenediamine, N1-(3-methoxyphenyl)-N1-methyl-
CAS No: 246864-36-8 Catalog No: AG002P17 MDL No:
Product Description
Catalog Number:
AG002P17
Chemical Name:
1,4-Benzenediamine, N1-(3-methoxyphenyl)-N1-methyl-
CAS Number:
246864-36-8
Molecular Formula:
C14H16N2O
Molecular Weight:
228.2896
IUPAC Name:
4-N-(3-methoxyphenyl)-4-N-methylbenzene-1,4-diamine
InChI:
InChI=1S/C14H16N2O/c1-16(12-8-6-11(15)7-9-12)13-4-3-5-14(10-13)17-2/h3-10H,15H2,1-2H3
InChI Key:
QFGFQZCBBIIQKJ-UHFFFAOYSA-N
SMILES:
COc1cccc(c1)N(c1ccc(cc1)N)C
Properties
Complexity:
226
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
228.126g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
228.295g/mol
Monoisotopic Mass:
228.126g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
38.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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