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14792-59-7 | Dodecanoic acid, compd. with 1-dodecanamine (1:1)
CAS No: 14792-59-7 Catalog No: AG001FB2 MDL No:
Product Description
Catalog Number:
AG001FB2
Chemical Name:
Dodecanoic acid, compd. with 1-dodecanamine (1:1)
CAS Number:
14792-59-7
Molecular Formula:
C24H51NO2
Molecular Weight:
385.6672
IUPAC Name:
dodecan-1-amine;dodecanoic acid
InChI:
InChI=1S/C12H27N.C12H24O2/c1-2-3-4-5-6-7-8-9-10-11-12-13;1-2-3-4-5-6-7-8-9-10-11-12(13)14/h2-13H2,1H3;2-11H2,1H3,(H,13,14)
InChI Key:
UZXHIDUGGBNKFM-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCCN.CCCCCCCCCCCC(=O)O
NSC Number:
40150
Properties
Complexity:
214
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
385.392g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
385.677g/mol
Monoisotopic Mass:
385.392g/mol
Rotatable Bond Count:
20
Topological Polar Surface Area:
63.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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