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101828-21-1 | 1-Naphthalenemethanamine, N-[[4-(1,1-dimethylethyl)phenyl]methyl]-N-methyl-
CAS No: 101828-21-1 Catalog No: AG0005NN MDL No:MFCD00865577
Product Description
Catalog Number:
AG0005NN
Chemical Name:
1-Naphthalenemethanamine, N-[[4-(1,1-dimethylethyl)phenyl]methyl]-N-methyl-
CAS Number:
101828-21-1
Molecular Formula:
C23H27N
Molecular Weight:
317.4672
MDL Number:
MFCD00865577
IUPAC Name:
1-(4-tert-butylphenyl)-N-methyl-N-(naphthalen-1-ylmethyl)methanamine
InChI:
InChI=1S/C23H27N/c1-23(2,3)21-14-12-18(13-15-21)16-24(4)17-20-10-7-9-19-8-5-6-11-22(19)20/h5-15H,16-17H2,1-4H3
InChI Key:
ABJKWBDEJIDSJZ-UHFFFAOYSA-N
SMILES:
CN(Cc1cccc2c1cccc2)Cc1ccc(cc1)C(C)(C)C
UNII:
91Y494NL0X
Properties
Complexity:
374
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
317.214g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
317.476g/mol
Monoisotopic Mass:
317.214g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
3.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.3
Literature
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