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823235-99-0 | Urea, N-[3-[bis(2-hydroxyethyl)amino]propyl]-N'-(1-ethylpropyl)-
CAS No: 823235-99-0 Catalog No: AG005DXU MDL No:
Product Description
Catalog Number:
AG005DXU
Chemical Name:
Urea, N-[3-[bis(2-hydroxyethyl)amino]propyl]-N'-(1-ethylpropyl)-
CAS Number:
823235-99-0
Molecular Formula:
C13H29N3O3
Molecular Weight:
275.3877
IUPAC Name:
1-[3-[bis(2-hydroxyethyl)amino]propyl]-3-pentan-3-ylurea
InChI:
InChI=1S/C13H29N3O3/c1-3-12(4-2)15-13(19)14-6-5-7-16(8-10-17)9-11-18/h12,17-18H,3-11H2,1-2H3,(H2,14,15,19)
InChI Key:
FQYXWWBSRKXZCK-UHFFFAOYSA-N
SMILES:
OCCN(CCO)CCCNC(=O)NC(CC)CC
Properties
Complexity:
217
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
275.221g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
275.393g/mol
Monoisotopic Mass:
275.221g/mol
Rotatable Bond Count:
11
Topological Polar Surface Area:
84.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.2
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