Alanine, 3-cyano-


Chemical Name: Alanine, 3-cyano-
CAS Number: 6232-19-5
Product Number: AG00EBE0(AGN-PC-0ODP6H)
Synonyms:
MDL No:
Molecular Formula:
Molecular Weight:

Identification/Properties


Properties
MP:
>180°C (dec.)
Storage:
2-8℃;
Form:
Solid
Computed Properties
Molecular Weight:
114.104g/mol
XLogP3:
-3.7
Hydrogen Bond Donor Count:
2
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
2
Exact Mass:
114.043g/mol
Monoisotopic Mass:
114.043g/mol
Topological Polar Surface Area:
87.1A^2
Heavy Atom Count:
8
Formal Charge:
0
Complexity:
134
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
1
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

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NMR Spectrum


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