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Details

Stereochemistry RACEMIC
Molecular Formula C12H17NO2.ClH
Molecular Weight 243.73
Optical Activity ( + / - )
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of DMCPA HYDROCHLORIDE

SMILES

Cl.COC1=CC(C)=C(OC)C=C1[C@@H]2C[C@H]2N

InChI

InChIKey=CEDNODFJANCFQI-KXNXZCPBSA-N
InChI=1S/C12H17NO2.ClH/c1-7-4-12(15-3)9(6-11(7)14-2)8-5-10(8)13;/h4,6,8,10H,5,13H2,1-3H3;1H/t8-,10+;/m0./s1

HIDE SMILES / InChI

Molecular Formula C12H17NO2
Molecular Weight 207.2689
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 2 / 2
E/Z Centers 0
Optical Activity UNSPECIFIED

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

Approval Year

Substance Class Chemical
Record UNII
V9TT57FWR4
Record Status Validated (UNII)
Record Version