4-Pentenoic acid, 2-amino-, methyl ester, hydrochloride


Chemical Name: 4-Pentenoic acid, 2-amino-, methyl ester, hydrochloride
CAS Number: 115289-55-9
Product Number: AG000GKK(AGN-PC-006Z69)
Synonyms:
MDL No:
Molecular Formula: C6H12ClNO2
Molecular Weight: 165.6180

Identification/Properties


Computed Properties
Molecular Weight:
165.617g/mol
Hydrogen Bond Donor Count:
2
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
4
Exact Mass:
165.056g/mol
Monoisotopic Mass:
165.056g/mol
Topological Polar Surface Area:
52.3A^2
Heavy Atom Count:
10
Formal Charge:
0
Complexity:
112
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:
2
Compound Is Canonicalized:
Yes

Safety Information


GHS Pictogram:
Signal Word:
Warning
UN#:
N/A
Hazard Statements:
H302-H315-H319-H335
Precautionary Statements:
P261-P305+P351+P338
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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