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N-methyl-dl-alanine

CAT: 1266-JH363163Size: 1 EachDry Ice: NoHazardous: No
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CAS Number
600-21-5
Hazard Statement
Xi
HS Code
2922499990
Stability
Stable under normal temperatures and pressures.
Molecular Formula
C4H9NO2
Molecular Weight
103.12
Product Name Synonym
L-Alanine, N-methyl
Physical Properties
White crystalline powder
Hazardous Class
8
Safety Statements
S26; S36/37/39
Density
1.048 g/cm3
Flash Point
68.8oC
Melting Point
317CoC

Chemical Information

N-Methyl-DL-Alanine

N-methylalanine is an alanine derivative.

CAS Number600-21-5
PubChem CID4377
IUPAC Name2-(methylamino)propanoic acid
Molecular FormulaC4H9NO2
Molecular Weight103.12
XLogP-2.5
Topological Polar Surface Area49.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Heavy Atom Count7
Formal Charge0
Complexity72
SMILES
CC(C(=O)O)NC
InChI
InChI=1S/C4H9NO2/c1-3(5-2)4(6)7/h3,5H,1-2H3,(H,6,7)
InChIKey
GDFAOVXKHJXLEI-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of N-Methyl-DL-Alanine
CAS: 600-21-5
CID: 4377
Formula: C4H9NO2
MW: 103.12
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight103.12
XLogP3-2.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Exact Mass103.063328530
Monoisotopic Mass103.063328530
Topological Polar Surface Area49.3 Ų
Heavy Atom Count7
Formal Charge0
Complexity72.1
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes