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41712-62-3 | 2-METHYL-1-PHENETHYL-3,4,5,6,7,8-HEXAHYDRO-1H-ISOQUINOLINE
CAS No: 41712-62-3 Catalog No: AG0075IN MDL No:
Product Description
Catalog Number:
AG0075IN
Chemical Name:
2-METHYL-1-PHENETHYL-3,4,5,6,7,8-HEXAHYDRO-1H-ISOQUINOLINE
CAS Number:
41712-62-3
Molecular Formula:
C18H25N
Molecular Weight:
255.3978
IUPAC Name:
2-methyl-1-(2-phenylethyl)-3,4,5,6,7,8-hexahydro-1H-isoquinoline
InChI:
InChI=1S/C18H25N/c1-19-14-13-16-9-5-6-10-17(16)18(19)12-11-15-7-3-2-4-8-15/h2-4,7-8,18H,5-6,9-14H2,1H3
InChI Key:
KDCYOWUMMCQWCJ-UHFFFAOYSA-N
SMILES:
CN1CCC2=C(C1CCc1ccccc1)CCCC2
Properties
Complexity:
325
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
255.199g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
255.405g/mol
Monoisotopic Mass:
255.199g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
3.2A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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