200,000+ products from a single source!
sales@angenechem.com
100021-84-9 | Octadecanoic acid, compd. with 1,2-ethanediamine phosphate (9CI)
CAS No: 100021-84-9 Catalog No: AG0000AX MDL No:
Product Description
Catalog Number:
AG0000AX
Chemical Name:
Octadecanoic acid, compd. with 1,2-ethanediamine phosphate (9CI)
CAS Number:
100021-84-9
Molecular Formula:
C20H47N2O6P
Molecular Weight:
442.5707
IUPAC Name:
ethane-1,2-diamine;octadecanoic acid;phosphoric acid
InChI:
InChI=1S/C18H36O2.C2H8N2.H3O4P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;3-1-2-4;1-5(2,3)4/h2-17H2,1H3,(H,19,20);1-4H2;(H3,1,2,3,4)
InChI Key:
YVVCEMHZXXJLOI-UHFFFAOYSA-N
SMILES:
OP(=O)(O)O.CCCCCCCCCCCCCCCCCC(=O)O.NCCN
EC Number:
309-111-1
Properties
Complexity:
257
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
442.317g/mol
Formal Charge:
0
Heavy Atom Count:
29
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
6
Isotope Atom Count:
0
Molecular Weight:
442.578g/mol
Monoisotopic Mass:
442.317g/mol
Rotatable Bond Count:
17
Topological Polar Surface Area:
167A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.