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Details

Stereochemistry RACEMIC
Molecular Formula C17H22NO2.Cl
Molecular Weight 307.815
Optical Activity ( + / - )
Defined Stereocenters 0 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of BENZYL ALCOHOL, ALPHA-(2-(DIMETHYLAMINO)-1-PHENOXYETHYL)-, HYDROCHLORIDE

SMILES

[Cl-].C[NH+](C)CC(OC1=CC=CC=C1)C(O)C2=CC=CC=C2

InChI

InChIKey=AAPGKZFKHTZMTB-UHFFFAOYSA-N
InChI=1S/C17H21NO2.ClH/c1-18(2)13-16(20-15-11-7-4-8-12-15)17(19)14-9-5-3-6-10-14;/h3-12,16-17,19H,13H2,1-2H3;1H

HIDE SMILES / InChI

Molecular Formula C17H21NO2
Molecular Weight 271.3541
Charge 0
Count
Stereochemistry MIXED
Additional Stereochemistry No
Defined Stereocenters 0 / 2
E/Z Centers 0
Optical Activity UNSPECIFIED

Molecular Formula ClH
Molecular Weight 36.461
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 18:55:34 GMT 2023
Edited
by admin
on Sat Dec 16 18:55:34 GMT 2023
Record UNII
SL68GQ2VQK
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
BENZYL ALCOHOL, ALPHA-(2-(DIMETHYLAMINO)-1-PHENOXYETHYL)-, HYDROCHLORIDE
Systematic Name English
BENZENEMETHANOL, .ALPHA.-(2-(DIMETHYLAMINO)-1-PHENOXYETHYL)-, HYDROCHLORIDE (1:1)
Systematic Name English
NSC-2334
Code English
BENZENEMETHANOL, .ALPHA.-(2-(DIMETHYLAMINO)-1-PHENOXYETHYL)-, HYDROCHLORIDE
Systematic Name English
Code System Code Type Description
NSC
2334
Created by admin on Sat Dec 16 18:55:34 GMT 2023 , Edited by admin on Sat Dec 16 18:55:34 GMT 2023
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PUBCHEM
21409
Created by admin on Sat Dec 16 18:55:34 GMT 2023 , Edited by admin on Sat Dec 16 18:55:34 GMT 2023
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CAS
5331-85-1
Created by admin on Sat Dec 16 18:55:34 GMT 2023 , Edited by admin on Sat Dec 16 18:55:34 GMT 2023
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FDA UNII
SL68GQ2VQK
Created by admin on Sat Dec 16 18:55:34 GMT 2023 , Edited by admin on Sat Dec 16 18:55:34 GMT 2023
PRIMARY
EPA CompTox
DTXSID00967907
Created by admin on Sat Dec 16 18:55:34 GMT 2023 , Edited by admin on Sat Dec 16 18:55:34 GMT 2023
PRIMARY