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94911-63-4 | Ethyl 4-(Dibenzylamino)butanoate
CAS No: 94911-63-4 Catalog No: AG003Q96 MDL No:MFCD26045233
Product Description
Catalog Number:
AG003Q96
Chemical Name:
Ethyl 4-(Dibenzylamino)butanoate
CAS Number:
94911-63-4
Molecular Formula:
C20H25NO2
Molecular Weight:
311.4180
MDL Number:
MFCD26045233
IUPAC Name:
ethyl 4-(dibenzylamino)butanoate
InChI:
InChI=1S/C20H25NO2/c1-2-23-20(22)14-9-15-21(16-18-10-5-3-6-11-18)17-19-12-7-4-8-13-19/h3-8,10-13H,2,9,14-17H2,1H3
InChI Key:
PNQDMSNPBPLCRI-UHFFFAOYSA-N
SMILES:
CCOC(=O)CCCN(Cc1ccccc1)Cc1ccccc1
Properties
Complexity:
300
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
311.189g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
311.425g/mol
Monoisotopic Mass:
311.189g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
29.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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