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122845-63-0 | Benzenamine, 4-methoxy-N-(3-methylbutylidene)-
CAS No: 122845-63-0 Catalog No: AG000JKV MDL No:
Product Description
Catalog Number:
AG000JKV
Chemical Name:
Benzenamine, 4-methoxy-N-(3-methylbutylidene)-
CAS Number:
122845-63-0
Molecular Formula:
C12H17NO
Molecular Weight:
191.2695
IUPAC Name:
N-(4-methoxyphenyl)-3-methylbutan-1-imine
InChI:
InChI=1S/C12H17NO/c1-10(2)8-9-13-11-4-6-12(14-3)7-5-11/h4-7,9-10H,8H2,1-3H3
InChI Key:
AICPEIOGZVZZEW-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)N=CCC(C)C
Properties
Complexity:
169
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
191.131g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
191.274g/mol
Monoisotopic Mass:
191.131g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
21.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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