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Details

Stereochemistry RACEMIC
Molecular Formula C11H14N2O.ClH
Molecular Weight 226.703
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 2-Amino-3-(4-methoxyphenyl)-2-methylpropanenitrile hydrochloride

SMILES

Cl.COC1=CC=C(CC(C)(N)C#N)C=C1

InChI

InChIKey=TZZSCDWIECWUCD-UHFFFAOYSA-N
InChI=1S/C11H14N2O.ClH/c1-11(13,8-12)7-9-3-5-10(14-2)6-4-9;/h3-6H,7,13H2,1-2H3;1H

HIDE SMILES / InChI

Molecular Formula C11H14N2O
Molecular Weight 190.2417
Charge 0
Count
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 0 / 1
E/Z Centers 0
Optical Activity ( + / - )

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

Approval Year

Substance Class Chemical
Created
by admin
on Wed Apr 02 18:59:07 GMT 2025
Edited
by admin
on Wed Apr 02 18:59:07 GMT 2025
Record UNII
4L2P8YT25M
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
2-Amino-3-(4-methoxyphenyl)-2-methylpropanenitrile hydrochloride
Systematic Name English
2-Amino-3-(4-methoxyphenyl)-2-methylpropanenitrile hydrochloride [USP-RS Chemical Name]
Preferred Name English
Metyrosine Related Compound A
Common Name English
Metyrosine Related Compound A [USP-RS]
Common Name English
Code System Code Type Description
FDA UNII
4L2P8YT25M
Created by admin on Wed Apr 02 18:59:07 GMT 2025 , Edited by admin on Wed Apr 02 18:59:07 GMT 2025
PRIMARY
RS_ITEM_NUM
1443227
Created by admin on Wed Apr 02 18:59:07 GMT 2025 , Edited by admin on Wed Apr 02 18:59:07 GMT 2025
PRIMARY
CAS
56931-17-0
Created by admin on Wed Apr 02 18:59:07 GMT 2025 , Edited by admin on Wed Apr 02 18:59:07 GMT 2025
PRIMARY
Related Record Type Details
PARENT -> SALT/SOLVATE
Name Property Type Amount Referenced Substance Defining Parameters References
USP Official Molecular Weight PHYSICAL
USP Molecular Formula PHYSICAL