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Details

Stereochemistry RACEMIC
Molecular Formula C9H19NO2.ClH
Molecular Weight 209.714
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of METHYL 3-(AMINOMETHYL)-5-METHYLHEXANOATE HYDROCHLORIDE

SMILES

Cl.COC(=O)CC(CN)CC(C)C

InChI

InChIKey=NQNJFRLJTFCGSL-UHFFFAOYSA-N
InChI=1S/C9H19NO2.ClH/c1-7(2)4-8(6-10)5-9(11)12-3;/h7-8H,4-6,10H2,1-3H3;1H

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 RACEMIC
Additional Stereochemistry No
Defined Stereocenters 0 / 1
E/Z Centers 0
Optical Activity ( + / - )

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 18:37:33 GMT 2023
Edited
by admin
on Sat Dec 16 18:37:33 GMT 2023
Record UNII
Y7AX2N3KAY
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
METHYL 3-(AMINOMETHYL)-5-METHYLHEXANOATE HYDROCHLORIDE
Systematic Name English
HEXANOIC ACID, 3-(AMINOMETHYL)-5-METHYL-, METHYL ESTER, HYDROCHLORIDE (1:1)
Common Name English
Code System Code Type Description
FDA UNII
Y7AX2N3KAY
Created by admin on Sat Dec 16 18:37:33 GMT 2023 , Edited by admin on Sat Dec 16 18:37:33 GMT 2023
PRIMARY
PUBCHEM
75105139
Created by admin on Sat Dec 16 18:37:33 GMT 2023 , Edited by admin on Sat Dec 16 18:37:33 GMT 2023
PRIMARY
CAS
1955557-35-3
Created by admin on Sat Dec 16 18:37:33 GMT 2023 , Edited by admin on Sat Dec 16 18:37:33 GMT 2023
PRIMARY
Related Record Type Details
ENANTIOMER -> RACEMATE
PARENT -> SALT/SOLVATE