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53464-72-5,MFCD00012502
Catalog No.:AA003NEC
53464-72-5 | 8-(Diethylamino)octyl 3,4,5-trimethoxybenzoate hydrochloride
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5mg
≥98%
1 week  
$85.00   $60.00
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10mg
≥98%
1 week  
$115.00   $81.00
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  • Technical Information
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  • Technical Information
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Technical Information
Catalog Number:
AA003NEC
Chemical Name:
8-(Diethylamino)octyl 3,4,5-trimethoxybenzoate hydrochloride
CAS Number:
53464-72-5
Molecular Formula:
C22H38ClNO5
Molecular Weight:
431.9938
MDL Number:
MFCD00012502
IUPAC Name:
8-(diethylamino)octyl 3,4,5-trimethoxybenzoate;hydrochloride
InChI:
InChI=1S/C22H37NO5.ClH/c1-6-23(7-2)14-12-10-8-9-11-13-15-28-22(24)18-16-19(25-3)21(27-5)20(17-18)26-4;/h16-17H,6-15H2,1-5H3;1H
InChI Key:
KFJZVXKPPQIYCG-UHFFFAOYSA-N
SMILES:
CCN(CCCCCCCCOC(=O)c1cc(OC)c(c(c1)OC)OC)CC.Cl
EC Number:
258-574-5
NSC Number:
379318
Properties
Computed Properties
 
Complexity:
388  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
431.244g/mol
Formal Charge:
0
Heavy Atom Count:
29  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
431.998g/mol
Monoisotopic Mass:
431.244g/mol
Rotatable Bond Count:
16  
Topological Polar Surface Area:
57.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0

Synonyms
 
3,4,5-trimethoxybenzoic acid, 8-(diethylamino)octyl ester 
8-(N,N-diethylamino)octyl-3,4,5-trimethoxybenzoate 
8-(N,N-Diethylamino)-octyl-3,4,5-trimethoxybenzoate, HCl 
8-(Diethylamino)octyl-3,4,5-trimethoxybenzoate hydrochloride 
3,4,5-Trimethoxybenzoic Acid 8-Diethylamino-n-octyl Ester Hydrochloride 
TMB 8 hydrochloride 
AC1OCEPW 
MLS002153307 
ACMC-1B069 
SCHEMBL5682553 
CHEMBL1256666 
CTK8C5800 
8-(N,N-diethylamino)octyl-3,4,5-trimethoxybenzoate hydrochloride 
REGID_for_CID_6917843 
Tox21_500022 
IN1056 
MFCD00012502 
NSC379318 
3,4,5-Trimethoxybenzoic Acid 8-(Diethylamino)octyl Ester, Hydrochloride 
AKOS015888376 
CCG-221326 
LP00022 
MCULE-2208552656 
TMB-8 
NSC-379318 
NCGC00093545-01 
NCGC00260707-01 
SMR001230723 
TC-168061 
EU-0100022 
FT-0614162 
TMB-8 inverted exclamation mark currency HCl 
C-49531 
SR-01000075348 
53464-72-5 
SR-01000075348-1 
I01-10369 
3,4,5-TRIMETHOXYBENZOIC ACID 8-(DIETHYLAMINO) OCTYL ESTER 
8-(Diethylamino)octyl-3,4,5-trimethoxybenzoate hydrochloride, 97% 
8-(N,N-diethylamino)octyl 3,4,5-trimethoxybenzoate hydrochloride 
Ambap371 
C22H37NO5.ClH 
CCRIS 7561 
C22-H37-N-O5.Cl-H 
EINECS 258-574-5 
TMB-8 hydrochloride 
CID6917843 
8- OCTYL3,4,5-TRIMETHOXYBENZOATEHYDROCHLORIDE 
Diethyl(8-(3,4,5-trimethoxybenzoyloxy)octyl)ammonium chloride 
Diethyl[8-(3,4,5-trimethoxybenzoyloxy)octyl]ammonium chloride 
3,4,5,-Trimethoxybenzoic acid 8-(diethylamino)octyl ester hydrochloride 
8-(Diethylamino)octyl 3,4,5-trimethoxybenzoate hydrochloride 
TMB-8, Hydrochloride 
TMB-8 
8-(Diethylamino)octyl-3,4,5-trimethoxybenzoate 
Literature

Title: Genetic mapping of targets mediating differential chemical phenotypes in Plasmodium falciparum.

Journal: Nature chemical biology 20091001

Title: Microsphere-based protease assays and screening application for lethal factor and factor Xa.

Journal: Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501

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