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Details

Stereochemistry ABSOLUTE
Molecular Formula C9H19NO2.ClH
Molecular Weight 209.714
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 2-Ethylbutyl L-Alaninate Hydrochloride

SMILES

Cl.CCC(CC)COC(=O)[C@H](C)N

InChI

InChIKey=DEAGOVGXNPHPIJ-FJXQXJEOSA-N
InChI=1S/C9H19NO2.ClH/c1-4-8(5-2)6-12-9(11)7(3)10;/h7-8H,4-6,10H2,1-3H3;1H/t7-;/m0./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 C9H19NO2
Molecular Weight 173.2527
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 19:52:46 UTC 2023
Edited
by admin
on Sat Dec 16 19:52:46 UTC 2023
Record UNII
QM82R73WUD
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
2-Ethylbutyl L-Alaninate Hydrochloride
Systematic Name English
L-Alanine 2-ethylbutyl ester hydrochloride
Common Name English
(S)-2-Ethylbutyl 2-aminopropanoate hydrochloride
Systematic Name English
L-Alanine, 2-ethylbutyl ester, hydrochloride (1:1)
Common Name English
Code System Code Type Description
FDA UNII
QM82R73WUD
Created by admin on Sat Dec 16 19:52:46 UTC 2023 , Edited by admin on Sat Dec 16 19:52:46 UTC 2023
PRIMARY
PUBCHEM
44225944
Created by admin on Sat Dec 16 19:52:46 UTC 2023 , Edited by admin on Sat Dec 16 19:52:46 UTC 2023
PRIMARY
CAS
946511-97-3
Created by admin on Sat Dec 16 19:52:46 UTC 2023 , Edited by admin on Sat Dec 16 19:52:46 UTC 2023
PRIMARY
Related Record Type Details
PARENT -> SALT/SOLVATE
INGREDIENT -> STARTING MATERIAL