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89071-51-2 | 1-Butanamine, N-[(4-methoxyphenyl)methylene]-, hydrochloride
CAS No: 89071-51-2 Catalog No: AG0040AJ MDL No:
Product Description
Catalog Number:
AG0040AJ
Chemical Name:
1-Butanamine, N-[(4-methoxyphenyl)methylene]-, hydrochloride
CAS Number:
89071-51-2
Molecular Formula:
C12H18ClNO
Molecular Weight:
227.7304
IUPAC Name:
N-butyl-1-(4-methoxyphenyl)methanimine;hydrochloride
InChI:
InChI=1S/C12H17NO.ClH/c1-3-4-9-13-10-11-5-7-12(14-2)8-6-11;/h5-8,10H,3-4,9H2,1-2H3;1H
InChI Key:
GYTUJPFAEOXFMS-UHFFFAOYSA-N
SMILES:
CCCCN=Cc1ccc(cc1)OC.Cl
Properties
Complexity:
160
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
227.108g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
227.732g/mol
Monoisotopic Mass:
227.108g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
21.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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