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Details

Stereochemistry ACHIRAL
Molecular Formula C9H9ClO3.C4H11NO2
Molecular Weight 305.755
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of MCPA-DIOLAMINE

SMILES

OCCNCCO.CC1=C(OCC(O)=O)C=CC(Cl)=C1

InChI

InChIKey=XQAVWNJMMDWIKG-UHFFFAOYSA-N
InChI=1S/C9H9ClO3.C4H11NO2/c1-6-4-7(10)2-3-8(6)13-5-9(11)12;6-3-1-5-2-4-7/h2-4H,5H2,1H3,(H,11,12);5-7H,1-4H2

HIDE SMILES / InChI

Molecular Formula C9H9ClO3
Molecular Weight 200.619
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 C4H11NO2
Molecular Weight 105.1356
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
QDC7T32U4I
Record Status Validated (UNII)
Record Version