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Details

Stereochemistry ACHIRAL
Molecular Formula C16H24N2O2.ClH
Molecular Weight 312.835
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 1-BOC-4-AP hydrochloride

SMILES

Cl.CC(C)(C)OC(=O)N1CCC(CC1)NC2=CC=CC=C2

InChI

InChIKey=XBZVLEXVYUBEEN-UHFFFAOYSA-N
InChI=1S/C16H24N2O2.ClH/c1-16(2,3)20-15(19)18-11-9-14(10-12-18)17-13-7-5-4-6-8-13;/h4-8,14,17H,9-12H2,1-3H3;1H

HIDE SMILES / InChI

Molecular Formula C16H24N2O2
Molecular Weight 276.374
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 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
AV5ZY9MQH9
Record Status Validated (UNII)
Record Version