Products for Research Use Only

2-methyl-N-phenylalanine

CAT: 0572-TRC-M356730-100MGSize: 100 mgDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0572-TRC-M356730-100MGSize:100 mg
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
CAS Number
59081-61-7
Hazard Statement
Causes skin irritation.
Purity
>95% (HPLC)
Smiles
CC(C)(Nc1ccccc1)C(=O)O
Molecular Formula
C10H13NO2
Molecular Weight
179.22
Shipping Conditions
Room Temperature
Storage Conditions
+4°C

Chemical Information

2-Methyl-N-phenylalanine
CAS Number59081-61-7
PubChem CID12678866
IUPAC Name2-anilino-2-methylpropanoic acid
Molecular FormulaC10H13NO2
Molecular Weight179.22
XLogP2.1
Topological Polar Surface Area49.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Heavy Atom Count13
Formal Charge0
Complexity183
SMILES
CC(C)(C(=O)O)NC1=CC=CC=C1
InChI
InChI=1S/C10H13NO2/c1-10(2,9(12)13)11-8-6-4-3-5-7-8/h3-7,11H,1-2H3,(H,12,13)
InChIKey
VPCYMDCQKGJWDO-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-Methyl-N-phenylalanine
CAS: 59081-61-7
CID: 12678866
Formula: C10H13NO2
MW: 179.22
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight179.22
XLogP32.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Exact Mass179.094628657
Monoisotopic Mass179.094628657
Topological Polar Surface Area49.3 Ų
Heavy Atom Count13
Formal Charge0
Complexity183
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes