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122222-37-1 | L-Alanine, N-(1-oxooctyl)-
CAS No: 122222-37-1 Catalog No: AG0016YQ MDL No:
Product Description
Catalog Number:
AG0016YQ
Chemical Name:
L-Alanine, N-(1-oxooctyl)-
CAS Number:
122222-37-1
Molecular Formula:
C11H21NO3
Molecular Weight:
215.2893
IUPAC Name:
(2S)-2-(octanoylamino)propanoic acid
InChI:
InChI=1S/C11H21NO3/c1-3-4-5-6-7-8-10(13)12-9(2)11(14)15/h9H,3-8H2,1-2H3,(H,12,13)(H,14,15)/t9-/m0/s1
InChI Key:
PWDZZFPSEZIBRW-VIFPVBQESA-N
SMILES:
CCCCCCCC(=O)N[C@H](C(=O)O)C
Properties
Complexity:
204
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
215.152g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
215.293g/mol
Monoisotopic Mass:
215.152g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
66.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
Literature
| Title | Journal |
|---|---|
| Formation of molecular glasses and the aggregation in solutions for lanthanum(III), calcium(II), and yttrium(III) complexes of octanoyl-DL-alaninate. | Dalton transactions (Cambridge, England : 2003) 20080407 |
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