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101846-83-7 | 1-Naphthalenemethanamine, N-[[4-(1,1-dimethylethyl)phenyl]methyl]-
CAS No: 101846-83-7 Catalog No: AG0005PS MDL No:
Product Description
Catalog Number:
AG0005PS
Chemical Name:
1-Naphthalenemethanamine, N-[[4-(1,1-dimethylethyl)phenyl]methyl]-
CAS Number:
101846-83-7
Molecular Formula:
C22H25N
Molecular Weight:
303.4406
IUPAC Name:
1-(4-tert-butylphenyl)-N-(naphthalen-1-ylmethyl)methanamine
InChI:
InChI=1S/C22H25N/c1-22(2,3)20-13-11-17(12-14-20)15-23-16-19-9-6-8-18-7-4-5-10-21(18)19/h4-14,23H,15-16H2,1-3H3
InChI Key:
ADAIQTYPTRBLCB-UHFFFAOYSA-N
SMILES:
CC(c1ccc(cc1)CNCc1cccc2c1cccc2)(C)C
Properties
Complexity:
348
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
303.199g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
303.449g/mol
Monoisotopic Mass:
303.199g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
12A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.8
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