Butanoic acid, 3-amino-, methyl ester


Chemical Name: Butanoic acid, 3-amino-, methyl ester
CAS Number: 6078-06-4
Product Number: AG00EIDV(AGN-PC-0MN4PH)
Synonyms:
MDL No:
Molecular Formula: C5H11NO2
Molecular Weight: 117.1463

Identification/Properties


Computed Properties
Molecular Weight:
117.148g/mol
XLogP3:
-0.5
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
3
Exact Mass:
117.079g/mol
Monoisotopic Mass:
117.079g/mol
Topological Polar Surface Area:
52.3A^2
Heavy Atom Count:
8
Formal Charge:
0
Complexity:
82.5
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
1
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:
Warning
UN#:
-
Hazard Statements:
H302-H315-H319-H335
Precautionary Statements:
P261-P305+P351+P338
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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