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675103-54-5 | Butanoic acid, compd. with 1-naphthalenemethanamine (1:1)
CAS No: 675103-54-5 Catalog No: AG006G3W MDL No:
Product Description
Catalog Number:
AG006G3W
Chemical Name:
Butanoic acid, compd. with 1-naphthalenemethanamine (1:1)
CAS Number:
675103-54-5
Molecular Formula:
C15H19NO2
Molecular Weight:
245.3169
IUPAC Name:
butanoic acid;naphthalen-1-ylmethanamine
InChI:
InChI=1S/C11H11N.C4H8O2/c12-8-10-6-3-5-9-4-1-2-7-11(9)10;1-2-3-4(5)6/h1-7H,8,12H2;2-3H2,1H3,(H,5,6)
InChI Key:
TZRHFQWOCHEDGK-UHFFFAOYSA-N
SMILES:
NCc1cccc2c1cccc2.CCCC(=O)O
Properties
Complexity:
193
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
245.142g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
245.322g/mol
Monoisotopic Mass:
245.142g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
63.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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