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675103-87-4 | Pentanoic acid, 3-methyl-, compd. with 1-naphthalenemethanamine(1:1)
CAS No: 675103-87-4 Catalog No: AG006G3V MDL No:
Product Description
Catalog Number:
AG006G3V
Chemical Name:
Pentanoic acid, 3-methyl-, compd. with 1-naphthalenemethanamine(1:1)
CAS Number:
675103-87-4
Molecular Formula:
C17H23NO2
Molecular Weight:
273.3700
IUPAC Name:
3-methylpentanoic acid;naphthalen-1-ylmethanamine
InChI:
InChI=1S/C11H11N.C6H12O2/c12-8-10-6-3-5-9-4-1-2-7-11(9)10;1-3-5(2)4-6(7)8/h1-7H,8,12H2;5H,3-4H2,1-2H3,(H,7,8)
InChI Key:
DKCPRVFXJGZUNR-UHFFFAOYSA-N
SMILES:
NCc1cccc2c1cccc2.CCC(CC(=O)O)C
Properties
Complexity:
223
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
273.173g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
273.376g/mol
Monoisotopic Mass:
273.173g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
63.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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