Heptanoic acid, 7-amino-, 1,1-dimethylethyl ester


Chemical Name: Heptanoic acid, 7-amino-, 1,1-dimethylethyl ester
CAS Number: 105974-64-9
Product Number: AG0084NC(AGN-PC-025MFC)
Synonyms:
MDL No:
Molecular Formula: C11H23NO2
Molecular Weight: 201.3058

Identification/Properties


Computed Properties
Molecular Weight:
201.31g/mol
XLogP3:
1.7
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
8
Exact Mass:
201.173g/mol
Monoisotopic Mass:
201.173g/mol
Topological Polar Surface Area:
52.3A^2
Heavy Atom Count:
14
Formal Charge:
0
Complexity:
161
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

Safety Information


GHS Pictogram:
Signal Word:
Danger
UN#:
2735
Hazard Statements:
H315-H318-H335
Precautionary Statements:
P261-P264-P271-P280-P302+P352-P304+P340-P305+P351+P338-P310-P332+P313-P362-P403+P233-P405-P501
Class:
8
Packing Group:

NMR Spectrum


Other Analytical Data


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