Products for Research Use Only

1-13C-D-Phenylalanine

CAT: 0572-TRC-P319413-25MGSize: 25 mgDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0572-TRC-P319413-25MGSize:25 mg
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
CAS Number
1202063-94-2
Hazard Statement
No Data Available
Smiles
N[C@H](Cc1ccccc1)[13C](=O)O
Molecular Formula
13C C8 H11 N O2
Molecular Weight
166.182
InChI
InChI=1S/C9H11NO2/c10-8(9(11)12)6-7-4-2-1-3-5-7/h1-5,8H,6,10H2,(H,11,12)/t8-/m1/s1/i9+1
Additionnal Information
IUPAC name: (2R)-2-amino-3-phenyl(113C)propanoic acid
Shipping Conditions
Room Temperature

Chemical Information

1-13C-D-Phenylalanine
CAS Number1202063-94-2
PubChem CID102122880
IUPAC Name(2R)-2-amino-3-phenyl(113C)propanoic acid
Molecular FormulaC9H11NO2
Molecular Weight166.18
XLogP-1.5
Topological Polar Surface Area63.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Heavy Atom Count12
Formal Charge0
Complexity153
SMILES
C1=CC=C(C=C1)C[C@H]([13C](=O)O)N
InChI
InChI=1S/C9H11NO2/c10-8(9(11)12)6-7-4-2-1-3-5-7/h1-5,8H,6,10H2,(H,11,12)/t8-/m1/s1/i9+1
InChIKey
COLNVLDHVKWLRT-OHEVQBQUSA-N
Chemical Structure
2D Structure
2D structure of 1-13C-D-Phenylalanine
CAS: 1202063-94-2
CID: 102122880
Formula: C9H11NO2
MW: 166.18
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight166.18
XLogP3-1.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Exact Mass166.082333429
Monoisotopic Mass166.082333429
Topological Polar Surface Area63.3 Ų
Heavy Atom Count12
Formal Charge0
Complexity153
Isotope Atom Count1
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes