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Details

Stereochemistry ABSOLUTE
Molecular Formula C17H21NO.ClH
Molecular Weight 291.816
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of N-Methyl-3-phenyl-3-(3-tolyloxy)propan-1-amine hydrochloride, (R)-

SMILES

Cl.CNCC[C@@H](OC1=CC=CC(C)=C1)C2=CC=CC=C2

InChI

InChIKey=AGRDQGGDIUGNGI-UNTBIKODSA-N
InChI=1S/C17H21NO.ClH/c1-14-7-6-10-16(13-14)19-17(11-12-18-2)15-8-4-3-5-9-15;/h3-10,13,17-18H,11-12H2,1-2H3;1H/t17-;/m1./s1

HIDE SMILES / InChI

Molecular Formula C17H21NO
Molecular Weight 255.3547
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 1 / 1
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
82NNL8EHZ7
Record Status Validated (UNII)
Record Version