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Details

Stereochemistry ACHIRAL
Molecular Formula C7H13NO2.ClH
Molecular Weight 179.645
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of Methyl (E)-4-(dimethylamino)but-2-enoate hydrochloride

SMILES

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

InChI

InChIKey=SSKHRVINFZEVKS-FXRZFVDSSA-N
InChI=1S/C7H13NO2.ClH/c1-8(2)6-4-5-7(9)10-3;/h4-5H,6H2,1-3H3;1H/b5-4+;

HIDE SMILES / InChI

Molecular Formula C7H13NO2
Molecular Weight 143.1836
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 1
Optical Activity NONE

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 Sat Dec 16 18:41:31 GMT 2023
Edited
by admin
on Sat Dec 16 18:41:31 GMT 2023
Record UNII
EQ5SP7TV7S
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
Methyl (E)-4-(dimethylamino)but-2-enoate hydrochloride
Systematic Name English
2-Butenoic acid, 4-(dimethylamino)-, methyl ester, hydrochloride (1:1), (2E)-
Systematic Name English
Code System Code Type Description
PUBCHEM
21917320
Created by admin on Sat Dec 16 18:41:31 GMT 2023 , Edited by admin on Sat Dec 16 18:41:31 GMT 2023
PRIMARY
CAS
1259519-60-2
Created by admin on Sat Dec 16 18:41:31 GMT 2023 , Edited by admin on Sat Dec 16 18:41:31 GMT 2023
PRIMARY
FDA UNII
EQ5SP7TV7S
Created by admin on Sat Dec 16 18:41:31 GMT 2023 , Edited by admin on Sat Dec 16 18:41:31 GMT 2023
PRIMARY
Related Record Type Details
PARENT -> SALT/SOLVATE