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138845-12-2 | 1-Docosanamine, phosphate (2:1)
CAS No: 138845-12-2 Catalog No: AG0019OK MDL No:
Product Description
Catalog Number:
AG0019OK
Chemical Name:
1-Docosanamine, phosphate (2:1)
CAS Number:
138845-12-2
Molecular Formula:
C44H97N2O4P
Molecular Weight:
749.2257
IUPAC Name:
docosan-1-amine;phosphoric acid
InChI:
InChI=1S/2C22H47N.H3O4P/c2*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23;1-5(2,3)4/h2*2-23H2,1H3;(H3,1,2,3,4)
InChI Key:
XAOSCBJPMNJJRV-UHFFFAOYSA-N
SMILES:
OP(=O)(O)O.CCCCCCCCCCCCCCCCCCCCCCN.CCCCCCCCCCCCCCCCCCCCCCN
Properties
Complexity:
240
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
748.719g/mol
Formal Charge:
0
Heavy Atom Count:
51
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
5
Isotope Atom Count:
0
Molecular Weight:
749.244g/mol
Monoisotopic Mass:
748.719g/mol
Rotatable Bond Count:
40
Topological Polar Surface Area:
130A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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