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17430-82-9 | 9-Octadecenoic acid (9Z)-, compd. with 1-dodecanamine (1:1)
CAS No: 17430-82-9 Catalog No: AG001ZKJ MDL No:
Product Description
Catalog Number:
AG001ZKJ
Chemical Name:
9-Octadecenoic acid (9Z)-, compd. with 1-dodecanamine (1:1)
CAS Number:
17430-82-9
Molecular Formula:
C30H61NO2
Molecular Weight:
467.8108
IUPAC Name:
dodecan-1-amine;(Z)-octadec-9-enoic acid
InChI:
InChI=1S/C18H34O2.C12H27N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;1-2-3-4-5-6-7-8-9-10-11-12-13/h9-10H,2-8,11-17H2,1H3,(H,19,20);2-13H2,1H3/b10-9-;
InChI Key:
YGNMKCIQDOADAV-KVVVOXFISA-N
SMILES:
CCCCCCCCCCCCN.CCCCCCCC/C=C\CCCCCCCC(=O)O
EC Number:
241-456-2
Properties
Complexity:
315
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
467.47g/mol
Formal Charge:
0
Heavy Atom Count:
33
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
467.823g/mol
Monoisotopic Mass:
467.47g/mol
Rotatable Bond Count:
25
Topological Polar Surface Area:
63.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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