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16290-26-9,MFCD00012859
Catalog No.:AA003IEY
16290-26-9 | 4-(Aminomethyl)benzene-1,2-diol hydrobromide
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  • Technical Information
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  • Technical Information
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Technical Information
Catalog Number:
AA003IEY
Chemical Name:
4-(Aminomethyl)benzene-1,2-diol hydrobromide
CAS Number:
16290-26-9
Molecular Formula:
C7H10BrNO2
Molecular Weight:
220.0638
MDL Number:
MFCD00012859
IUPAC Name:
4-(aminomethyl)benzene-1,2-diol;hydrobromide
InChI:
InChI=1S/C7H9NO2.BrH/c8-4-5-1-2-6(9)7(10)3-5;/h1-3,9-10H,4,8H2;1H
InChI Key:
BVFZTXFCZAXSHN-UHFFFAOYSA-N
SMILES:
NCc1ccc(c(c1)O)O.Br
EC Number:
240-382-8
NSC Number:
263475
Properties
Computed Properties
 
Complexity:
108  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
218.989g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
4  
Isotope Atom Count:
0
Molecular Weight:
220.066g/mol
Monoisotopic Mass:
218.989g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
66.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0

Synonyms
 
3,4-dihydroxybenzylamine 
3,4-dihydroxybenzylamine hydrobromide 
ACMC-1AFA4 
SCHEMBL210866 
CHEMBL1982505 
CTK3J6080 
BVFZTXFCZAXSHN-UHFFFAOYSA-N 
1, 4-(aminomethyl)-, hydrobromide 
4-(Aminomethyl)catechol hydrobromide 
3,4 dihydroxybenzylamine hydrobromide 
NSC263475 
3,4-dihy-droxybenzylamine hydrobromide 
3,4-dihydroxybenzylamine hydrochloride 
3,4-dihydroxy benzylamine hydrobromide 
AKOS004910333 
CHM0022691 
MCULE-7088860227 
NSC-263475 
RTR-006977 
VZ25559 
KS-000018H6 
CC-13194 
DS-15276 
16290-26-9 
4-(aminomethyl)benzene-1,2-diol, bromide 
DB-043537 
TR-006977 
4-Aminomethyl-benzene-1,2-diol hydrobromide 
AM20030100 
FT-0637350 
ST24042999 
ST51037574 
1,2-Benzenediol, 4-(aminomethyl)-, hydrobromide 
A810422 
3,4-Dihydroxybenzylamine hydrobromide 
C-12120 
J-009984 
I01-18404 
F1967-1771 
3,4-Dihydroxybenzylamine 
C7H9NO2.BrH 
C(N)c1ccc(O)c(O)c1 
C7-H9-N-O2.Br-H 
4-aminomethyl-benzene-1,2-diol 
EINECS 240-382-8 
4-(aminomethyl)benzene-1,2-diol hydrobromide 
ACN-045550 
4-(Aminomethyl)pyrocatechol hydrobromide 
MFCD00012859 
AK-63518 
3,4-Dihydroxybenzylamine hydrobromide, 98% 
DHBA hydrobromide 
Literature

Title: Dihydroxybenzoic acid isomers differentially dissociate soluble biotinyl-Aβ(1-42) oligomers.

Journal: Biochemistry 20120110

Title: Simultaneous determination of electroactive and non-electroactive food preservatives by novel capillary electrophoresis with amperometric detection.

Journal: Analytica chimica acta 20100923

Title: Fast liquid chromatography separation and multiple-reaction monitoring mass spectrometric detection of neurotransmitters.

Journal: Journal of separation science 20090701

Title: Expression of human papilloma virus type 16 E5 protein in amelanotic melanoma cells regulates endo-cellular pH and restores tyrosinase activity.

Journal: Journal of experimental & clinical cancer research : CR 20090101

Title: 3-O-methyldopamine (3-O-methoxytyramine) interferes with the internal standard 3,4-dihydroxybenzylamine in a plasma catecholamine HPLC method.

Journal: Clinical chemistry 20071101

Title: Dipyrone (metamizole) metabolites interfere with HPLC analysis of plasma catecholamines but not with the determination of urinary catecholamines.

Journal: Clinical chemistry 20060901

Title: Fragmentation mechanisms of protonated benzylamines. Electrospray ionisation-tandem mass spectrometry study and ab initio molecular orbital calculations.

Journal: European journal of mass spectrometry (Chichester, England) 20030101

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