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86398-89-2 | 1-(2-DIETHYLAMINO-3-PROPOXY-PROPYL)-3-PHENYL-UREA
CAS No: 86398-89-2 Catalog No: AG004R74 MDL No:
Product Description
Catalog Number:
AG004R74
Chemical Name:
1-(2-DIETHYLAMINO-3-PROPOXY-PROPYL)-3-PHENYL-UREA
CAS Number:
86398-89-2
Molecular Formula:
C17H29N3O2
Molecular Weight:
307.4311
IUPAC Name:
1-[2-(diethylamino)-3-propoxypropyl]-3-phenylurea
InChI:
InChI=1S/C17H29N3O2/c1-4-12-22-14-16(20(5-2)6-3)13-18-17(21)19-15-10-8-7-9-11-15/h7-11,16H,4-6,12-14H2,1-3H3,(H2,18,19,21)
InChI Key:
KIQIGQOPBDMNQR-UHFFFAOYSA-N
SMILES:
CCN(C(COCCC)CNC(=O)Nc1ccccc1)CC
Properties
Complexity:
290
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
307.226g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
307.438g/mol
Monoisotopic Mass:
307.226g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
53.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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