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85712-02-3 | Urea,N,N-bis(butoxymethyl)-N'-octadecyl-
CAS No: 85712-02-3 Catalog No: AG004POZ MDL No:
Product Description
Catalog Number:
AG004POZ
Chemical Name:
Urea,N,N-bis(butoxymethyl)-N'-octadecyl-
CAS Number:
85712-02-3
Molecular Formula:
C29H60N2O3
Molecular Weight:
484.7983
IUPAC Name:
1,1-bis(butoxymethyl)-3-octadecylurea
InChI:
InChI=1S/C29H60N2O3/c1-4-7-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-30-29(32)31(27-33-25-8-5-2)28-34-26-9-6-3/h4-28H2,1-3H3,(H,30,32)
InChI Key:
PPYKUFYYEBSDQG-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCCCCCCCCNC(=O)N(COCCCC)COCCCC
EC Number:
288-360-7
Properties
Complexity:
395
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
484.46g/mol
Formal Charge:
0
Heavy Atom Count:
34
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
484.81g/mol
Monoisotopic Mass:
484.46g/mol
Rotatable Bond Count:
27
Topological Polar Surface Area:
50.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
10.8
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