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L-Phenylalanine-d7

CAT: 0572-TRC-P319416-25MGSize: 25 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-P319416-25MGSize:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
69113-60-6
Synonyms
(2S)-2-Amino-3-phenylpropanoic Acid-d7; (S)-(-)-Phenylalanine-d7; (S)-α-Amino-β-phenylpropionic Acid-d7; (S)-α-Aminohydrocinnamic Acid-d7; (S)-α-Amino-benzenepropanoic Acid-d7;
Hazard Statement
Not a hazardous substance according to GHS.
Purity
>95% (HPLC)
Smiles
N[C@H](C(O)=O)C([2H])([2H])C1=C([2H])C([2H])=C([2H])C([2H])=C1[2H]
Molecular Formula
C9H4D7NO2
Molecular Weight
172.23
Shipping Conditions
Room Temperature
Storage Conditions
+4°C

Chemical Information

L-Phenylalanine-d7
CAS Number69113-60-6
PubChem CID13000986
IUPAC Name(2S)-2-amino-3,3-dideuterio-3-(2,3,4,5,6-pentadeuteriophenyl)propanoic acid
Molecular FormulaC9H11NO2
Molecular Weight172.23
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
[2H]C1=C(C(=C(C(=C1[2H])[2H])C([2H])([2H])[C@@H](C(=O)O)N)[2H])[2H]
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-/m0/s1/i1D,2D,3D,4D,5D,6D2
InChIKey
COLNVLDHVKWLRT-RKWKZIRYSA-N
Chemical Structure
2D Structure
2D structure of L-Phenylalanine-d7
CAS: 69113-60-6
CID: 13000986
Formula: C9H11NO2
MW: 172.23
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight172.23
XLogP3-1.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Exact Mass172.122915815
Monoisotopic Mass172.122915815
Topological Polar Surface Area63.3 Ų
Heavy Atom Count12
Formal Charge0
Complexity153
Isotope Atom Count7
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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