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84515-43-5 | Decanoic acid, 2-[(ethylamino)methyl]-, ethyl ester
CAS No: 84515-43-5 Catalog No: AG004VQH MDL No:
Product Description
Catalog Number:
AG004VQH
Chemical Name:
Decanoic acid, 2-[(ethylamino)methyl]-, ethyl ester
CAS Number:
84515-43-5
Molecular Formula:
C15H31NO2
Molecular Weight:
257.4121
IUPAC Name:
ethyl 2-(ethylaminomethyl)decanoate
InChI:
InChI=1S/C15H31NO2/c1-4-7-8-9-10-11-12-14(13-16-5-2)15(17)18-6-3/h14,16H,4-13H2,1-3H3
InChI Key:
JGGQELZVIKVPAH-UHFFFAOYSA-N
SMILES:
CCCCCCCCC(C(=O)OCC)CNCC
Properties
Complexity:
195
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
257.235g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
257.418g/mol
Monoisotopic Mass:
257.235g/mol
Rotatable Bond Count:
13
Topological Polar Surface Area:
38.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
4.5
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