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Details

Stereochemistry ACHIRAL
Molecular Formula C12H16Cl2N2O.ClH
Molecular Weight 311.635
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 1-(4-Amino-3,5-dichlorophenyl)-2-(tert-butylamino)ethanone hydrochloride

SMILES

Cl.CC(C)(C)NCC(=O)C1=CC(Cl)=C(N)C(Cl)=C1

InChI

InChIKey=VCMBTLCRANMPCO-UHFFFAOYSA-N
InChI=1S/C12H16Cl2N2O.ClH/c1-12(2,3)16-6-10(17)7-4-8(13)11(15)9(14)5-7;/h4-5,16H,6,15H2,1-3H3;1H

HIDE SMILES / InChI

Molecular Formula ClH
Molecular Weight 36.461
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula C12H16Cl2N2O
Molecular Weight 275.174
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Record UNII
F95XTW5VBQ
Record Status Validated (UNII)
Record Version