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Details

Stereochemistry ABSOLUTE
Molecular Formula C13H19NO2.ClH
Molecular Weight 257.756
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Butyl D-Phenylalaninate hydrochloride

SMILES

Cl.CCCCOC(=O)[C@H](N)CC1=CC=CC=C1

InChI

InChIKey=XHOFZUILKVVMBK-UTONKHPSSA-N
InChI=1S/C13H19NO2.ClH/c1-2-3-9-16-13(15)12(14)10-11-7-5-4-6-8-11;/h4-8,12H,2-3,9-10,14H2,1H3;1H/t12-;/m1./s1

HIDE SMILES / InChI

Molecular Formula ClH
Molecular Weight 36.461
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula C13H19NO2
Molecular Weight 221.2955
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 19:58:20 GMT 2023
Edited
by admin
on Sat Dec 16 19:58:20 GMT 2023
Record UNII
Y88N9AG257
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
Butyl D-Phenylalaninate hydrochloride
Systematic Name English
Butyl (2R)-2-amino-3-phenyl-propanoate hydrochloride
Systematic Name English
D-Phenylalanine, butyl ester, hydrochloride (1:1)
Systematic Name English
Code System Code Type Description
CAS
1809541-04-5
Created by admin on Sat Dec 16 19:58:20 GMT 2023 , Edited by admin on Sat Dec 16 19:58:20 GMT 2023
PRIMARY
FDA UNII
Y88N9AG257
Created by admin on Sat Dec 16 19:58:20 GMT 2023 , Edited by admin on Sat Dec 16 19:58:20 GMT 2023
PRIMARY
Related Record Type Details
PARENT -> SALT/SOLVATE