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113900-28-0 | 2-Butenoic acid, 3-[[3-(diethylamino)propyl]amino]-, ethyl ester
CAS No: 113900-28-0 Catalog No: AG000A22 MDL No:
Product Description
Catalog Number:
AG000A22
Chemical Name:
2-Butenoic acid, 3-[[3-(diethylamino)propyl]amino]-, ethyl ester
CAS Number:
113900-28-0
Molecular Formula:
C13H26N2O2
Molecular Weight:
242.3577
IUPAC Name:
ethyl 3-[3-(diethylamino)propylamino]but-2-enoate
InChI:
InChI=1S/C13H26N2O2/c1-5-15(6-2)10-8-9-14-12(4)11-13(16)17-7-3/h11,14H,5-10H2,1-4H3
InChI Key:
DKAZLAFDAYBGTH-UHFFFAOYSA-N
SMILES:
CCOC(=O)C=C(NCCCN(CC)CC)C
Properties
Complexity:
236
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
242.199g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
242.363g/mol
Monoisotopic Mass:
242.199g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
41.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
2.8
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