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129024-48-2 | Ethanamine, N,N-dimethyl-, benzoate (1:1)
CAS No: 129024-48-2 Catalog No: AG000YSX MDL No:
Product Description
Catalog Number:
AG000YSX
Chemical Name:
Ethanamine, N,N-dimethyl-, benzoate (1:1)
CAS Number:
129024-48-2
Molecular Formula:
C11H17NO2
Molecular Weight:
195.2582
IUPAC Name:
benzoic acid;N,N-dimethylethanamine
InChI:
InChI=1S/C7H6O2.C4H11N/c8-7(9)6-4-2-1-3-5-6;1-4-5(2)3/h1-5H,(H,8,9);4H2,1-3H3
InChI Key:
FFJZYNHJLAUTBW-UHFFFAOYSA-N
SMILES:
OC(=O)c1ccccc1.CCN(C)C
Properties
Complexity:
121
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
195.126g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
195.262g/mol
Monoisotopic Mass:
195.126g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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