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Details

Stereochemistry ABSOLUTE
Molecular Formula C12H18NO2
Molecular Weight 208.2768
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 1

SHOW SMILES / InChI
Structure of L-PHENYLALANINE BETAINE CATION

SMILES

C[N+](C)(C)[C@@H](CC1=CC=CC=C1)C(O)=O

InChI

InChIKey=XTFQIRIHLGODFV-NSHDSACASA-O
InChI=1S/C12H17NO2/c1-13(2,3)11(12(14)15)9-10-7-5-4-6-8-10/h4-8,11H,9H2,1-3H3/p+1/t11-/m0/s1

HIDE SMILES / InChI

Molecular Formula C12H17NO2
Molecular Weight 207.2689
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 15:13:25 GMT 2023
Edited
by admin
on Sat Dec 16 15:13:25 GMT 2023
Record UNII
B7V7TG4V4W
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
L-PHENYLALANINE BETAINE CATION
Common Name English
BENZENEETHANAMINIUM, .ALPHA.-CARBOXY-N,N,N-TRIMETHYL-, (S)-
Systematic Name English
Code System Code Type Description
FDA UNII
B7V7TG4V4W
Created by admin on Sat Dec 16 15:13:25 GMT 2023 , Edited by admin on Sat Dec 16 15:13:25 GMT 2023
PRIMARY
PUBCHEM
25837692
Created by admin on Sat Dec 16 15:13:25 GMT 2023 , Edited by admin on Sat Dec 16 15:13:25 GMT 2023
PRIMARY
CAS
125982-49-2
Created by admin on Sat Dec 16 15:13:25 GMT 2023 , Edited by admin on Sat Dec 16 15:13:25 GMT 2023
PRIMARY
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