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15911-72-5 | Butanoic acid, 2-amino-, 1,1-dimethylethyl ester
CAS No: 15911-72-5 Catalog No: AG001QI8 MDL No:MFCD12766685
Product Description
Catalog Number:
AG001QI8
Chemical Name:
Butanoic acid, 2-amino-, 1,1-dimethylethyl ester
CAS Number:
15911-72-5
Molecular Formula:
C8H17NO2
Molecular Weight:
159.2261
MDL Number:
MFCD12766685
IUPAC Name:
tert-butyl 2-aminobutanoate
InChI:
InChI=1S/C8H17NO2/c1-5-6(9)7(10)11-8(2,3)4/h6H,5,9H2,1-4H3
InChI Key:
UZHNWSLHLJLEAZ-UHFFFAOYSA-N
SMILES:
CCC(C(=O)OC(C)(C)C)N
Properties
Complexity:
138
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
159.126g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
159.229g/mol
Monoisotopic Mass:
159.126g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
52.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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