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128988-04-5 | β-Alanine, N-[3-(1,1-dimethylethoxy)-3-oxopropyl]-, 1,1-dimethylethyl ester
CAS No: 128988-04-5 Catalog No: AG000YQW MDL No:MFCD07781379
Product Description
Catalog Number:
AG000YQW
Chemical Name:
β-Alanine, N-[3-(1,1-dimethylethoxy)-3-oxopropyl]-, 1,1-dimethylethyl ester
CAS Number:
128988-04-5
Molecular Formula:
C14H27NO4
Molecular Weight:
273.3685
MDL Number:
MFCD07781379
IUPAC Name:
tert-butyl 3-[[3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]amino]propanoate
InChI:
InChI=1S/C14H27NO4/c1-13(2,3)18-11(16)7-9-15-10-8-12(17)19-14(4,5)6/h15H,7-10H2,1-6H3
InChI Key:
KCTOWZYKZDFZMQ-UHFFFAOYSA-N
SMILES:
O=C(OC(C)(C)C)CCNCCC(=O)OC(C)(C)C
Properties
Complexity:
270
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
273.194g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
273.373g/mol
Monoisotopic Mass:
273.194g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
64.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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