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102516-73-4 | β-Alanine, N-[4-(3,3-dimethyl-1-triazenyl)benzoyl]-, ethyl ester (9CI)
CAS No: 102516-73-4 Catalog No: AG0007MT MDL No:
Product Description
Catalog Number:
AG0007MT
Chemical Name:
β-Alanine, N-[4-(3,3-dimethyl-1-triazenyl)benzoyl]-, ethyl ester (9CI)
CAS Number:
102516-73-4
Molecular Formula:
C14H20N4O3
Molecular Weight:
292.3336
IUPAC Name:
ethyl 3-[[4-(dimethylaminodiazenyl)benzoyl]amino]propanoate
InChI:
InChI=1S/C14H20N4O3/c1-4-21-13(19)9-10-15-14(20)11-5-7-12(8-6-11)16-17-18(2)3/h5-8H,4,9-10H2,1-3H3,(H,15,20)
InChI Key:
VFJPPDDTQXMZEK-UHFFFAOYSA-N
SMILES:
CCOC(=O)CCNC(=O)c1ccc(cc1)N=NN(C)C
Properties
Complexity:
363
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
292.154g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
292.339g/mol
Monoisotopic Mass:
292.154g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
83.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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