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160254-21-7 | [(4-Methylphenyl)(phenyl)methyl](octyl)amine
CAS No: 160254-21-7 Catalog No: AG01FAQT MDL No:
Product Description
Catalog Number:
AG01FAQT
Chemical Name:
[(4-Methylphenyl)(phenyl)methyl](octyl)amine
CAS Number:
160254-21-7
Molecular Formula:
C22H31N
Molecular Weight:
309.4882
IUPAC Name:
N-[(4-methylphenyl)-phenylmethyl]octan-1-amine
InChI:
InChI=1S/C22H31N/c1-3-4-5-6-7-11-18-23-22(20-12-9-8-10-13-20)21-16-14-19(2)15-17-21/h8-10,12-17,22-23H,3-7,11,18H2,1-2H3
InChI Key:
YYARSJHQICBBKC-UHFFFAOYSA-N
SMILES:
CCCCCCCCNC(c1ccc(cc1)C)c1ccccc1
Properties
Complexity:
274
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
309.246g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
309.497g/mol
Monoisotopic Mass:
309.246g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
12A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
6.8
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