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259685-49-9 | Alanine, N,N-dimethyl-, dodecyl ester, hydrochloride (1:1)
CAS No: 259685-49-9 Catalog No: AG002R8D MDL No:MFCD20040092
Product Description
Catalog Number:
AG002R8D
Chemical Name:
Alanine, N,N-dimethyl-, dodecyl ester, hydrochloride (1:1)
CAS Number:
259685-49-9
Molecular Formula:
C17H36ClNO2
Molecular Weight:
321.9262
MDL Number:
MFCD20040092
IUPAC Name:
dodecyl 2-(dimethylamino)propanoate;hydrochloride
InChI:
InChI=1S/C17H35NO2.ClH/c1-5-6-7-8-9-10-11-12-13-14-15-20-17(19)16(2)18(3)4;/h16H,5-15H2,1-4H3;1H
InChI Key:
IPWWTXFQEUNUNX-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCCOC(=O)[C@@H](N(C)C)C.Cl
Properties
Complexity:
229
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
321.243g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
321.93g/mol
Monoisotopic Mass:
321.243g/mol
Rotatable Bond Count:
14
Topological Polar Surface Area:
29.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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