2-Butenoic acid, 3-amino-, methyl ester


Chemical Name: 2-Butenoic acid, 3-amino-, methyl ester
CAS Number: 14205-39-1
Product Number: AG001HNL(AGN-PC-0CGWO1)
Synonyms:
MDL No:
Molecular Formula: C5H9NO2
Molecular Weight: 115.1305

Identification/Properties


Properties
MP:
81-83 °C
BP:
194.1 °C at 760 mmHg
Storage:
Inert atmosphere;2-8℃;
Form:
Solid
Stability:
Hygroscopic
Refractive Index:
1.4538 (estimate)
Solubility:
18g/l
Computed Properties
Molecular Weight:
115.132g/mol
XLogP3:
0.6
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
2
Exact Mass:
115.063g/mol
Monoisotopic Mass:
115.063g/mol
Topological Polar Surface Area:
52.3A^2
Heavy Atom Count:
8
Formal Charge:
0
Complexity:
118
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
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
Precautionary Statements:
P501-P270-P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313-P301+P312+P330
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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