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189289-49-4 | Benzenepropanamine, 2-chloro-N-[1-(3-methoxyphenyl)ethylidene]-
CAS No: 189289-49-4 Catalog No: AG002I7W MDL No:
Product Description
Catalog Number:
AG002I7W
Chemical Name:
Benzenepropanamine, 2-chloro-N-[1-(3-methoxyphenyl)ethylidene]-
CAS Number:
189289-49-4
Molecular Formula:
C18H20ClNO
Molecular Weight:
301.8105
IUPAC Name:
N-[3-(2-chlorophenyl)propyl]-1-(3-methoxyphenyl)ethanimine
InChI:
InChI=1S/C18H20ClNO/c1-14(16-8-5-10-17(13-16)21-2)20-12-6-9-15-7-3-4-11-18(15)19/h3-5,7-8,10-11,13H,6,9,12H2,1-2H3
InChI Key:
HAFHHRZDUJHNLQ-UHFFFAOYSA-N
SMILES:
COc1cccc(c1)C(=NCCCc1ccccc1Cl)C
Properties
Complexity:
331
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
301.123g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
301.814g/mol
Monoisotopic Mass:
301.123g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
21.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.6
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