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L-Alanine beta-naphthylamide hydrobromide

CAT: 0024-sc-286052ASize: 5 gDry Ice: NoHazardous: No
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CAT#:0024-sc-286052ASize:5 g
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CAS Number
3513-56-2

Chemical Information

L-Alanine beta-naphthylamide hydrobromide
CAS Number3513-56-2
PubChem CID45157640
IUPAC Name(2S)-2-amino-N-naphthalen-2-ylpropanamide;hydrobromide
Molecular FormulaC13H15BrN2O
Molecular Weight295.17
Topological Polar Surface Area55.1
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Heavy Atom Count17
Formal Charge0
Complexity254
SMILES
C[C@@H](C(=O)NC1=CC2=CC=CC=C2C=C1)N.Br
InChI
InChI=1S/C13H14N2O.BrH/c1-9(14)13(16)15-12-7-6-10-4-2-3-5-11(10)8-12;/h2-9H,14H2,1H3,(H,15,16);1H/t9-;/m0./s1
InChIKey
RJWIERQOWOKVBY-FVGYRXGTSA-N
Chemical Structure
2D Structure
2D structure of L-Alanine beta-naphthylamide hydrobromide
CAS: 3513-56-2
CID: 45157640
Formula: C13H15BrN2O
MW: 295.17
Interactive 3D Structure
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Computed Properties
PropertyValue
Molecular Weight295.17
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Exact Mass294.03678
Monoisotopic Mass294.03678
Topological Polar Surface Area55.1 Ų
Heavy Atom Count17
Formal Charge0
Complexity254
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes