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Details

Stereochemistry MIXED
Molecular Formula C28H31Cl2NO.ClH
Molecular Weight 504.919
Optical Activity UNSPECIFIED
Defined Stereocenters 0 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 2-(P-(2-(3,4-DICHLOROPHENYL)-1,2,3,4-TETRAHYDRO-1-NAPHTHYL)PHENOXY)TRIETHYLAMINE HYDROCHLORIDE

SMILES

Cl.CCN(CC)CCOC1=CC=C(C=C1)C2C(CCC3=C2C=CC=C3)C4=CC(Cl)=C(Cl)C=C4

InChI

InChIKey=GABCEXYNRFHRIX-UHFFFAOYSA-N
InChI=1S/C28H31Cl2NO.ClH/c1-3-31(4-2)17-18-32-23-13-9-21(10-14-23)28-24-8-6-5-7-20(24)11-15-25(28)22-12-16-26(29)27(30)19-22;/h5-10,12-14,16,19,25,28H,3-4,11,15,17-18H2,1-2H3;1H

HIDE SMILES / InChI

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

Molecular Formula C28H31Cl2NO
Molecular Weight 468.458
Charge 0
Count
Stereochemistry MIXED
Additional Stereochemistry No
Defined Stereocenters 0 / 2
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 08:47:16 GMT 2023
Edited
by admin
on Sat Dec 16 08:47:16 GMT 2023
Record UNII
E9O9Q7AC58
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
2-(P-(2-(3,4-DICHLOROPHENYL)-1,2,3,4-TETRAHYDRO-1-NAPHTHYL)PHENOXY)TRIETHYLAMINE HYDROCHLORIDE
Common Name English
TRIETHYLAMINE, 2-(P-(2-(3,4-DICHLOROPHENYL)-1,2,3,4-TETRAHYDRO-1-NAPHTHYL)PHENOXY)-, HYDROCHLORIDE
Common Name English
ETHANAMINE, 2-(4-(2-(3,4-DICHLOROPHENYL)-1,2,3,4-TETRAHYDRO-1-NAPHTHALENYL)PHENOXY)-N,N-DIETHYL-, HYDROCHLORIDE (1:1)
Systematic Name English
Code System Code Type Description
EPA CompTox
DTXSID30963977
Created by admin on Sat Dec 16 08:47:16 GMT 2023 , Edited by admin on Sat Dec 16 08:47:16 GMT 2023
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PUBCHEM
199728
Created by admin on Sat Dec 16 08:47:16 GMT 2023 , Edited by admin on Sat Dec 16 08:47:16 GMT 2023
PRIMARY
CAS
4796-82-1
Created by admin on Sat Dec 16 08:47:16 GMT 2023 , Edited by admin on Sat Dec 16 08:47:16 GMT 2023
PRIMARY
FDA UNII
E9O9Q7AC58
Created by admin on Sat Dec 16 08:47:16 GMT 2023 , Edited by admin on Sat Dec 16 08:47:16 GMT 2023
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