Home Amines 538372-37-1
538372-37-1,MFCD18970771
Catalog No.:AA003IOI
538372-37-1 | Methyl 3,4-diamino-2-methoxybenzoate
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100mg
98%
in stock  
$129.00   $90.00
- +
250mg
98%
in stock  
$258.00   $180.00
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1g
95%
in stock  
$513.00   $360.00
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Technical Information
Catalog Number:
AA003IOI
Chemical Name:
Methyl 3,4-diamino-2-methoxybenzoate
CAS Number:
538372-37-1
Molecular Formula:
C9H12N2O3
Molecular Weight:
196.2032
MDL Number:
MFCD18970771
IUPAC Name:
methyl 3,4-diamino-2-methoxybenzoate
InChI:
InChI=1S/C9H12N2O3/c1-13-8-5(9(12)14-2)3-4-6(10)7(8)11/h3-4H,10-11H2,1-2H3
InChI Key:
RWEQERJJDQFUDV-UHFFFAOYSA-N
SMILES:
COC(=O)c1ccc(c(c1OC)N)N
Properties
Computed Properties
 
Complexity:
210  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
196.085g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
196.206g/mol
Monoisotopic Mass:
196.085g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
87.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4  

Synonyms
 
Methyl 3,4-diamino-2-methoxybenzoate 
538372-37-1 
MFCD18970771 
ZINC39084208 
AKOS022173248 
DS-7266 
FCH1052507 
TRA0051686 
AJ-98099 
SC-70329 
AX8265173 
4CH-003594 
3.4-DIAMINO-2-METHOXY-BENZOIC ACID METHYL ESTER 
CS-0061932 
ST24047745 
3,4-Diamino-2-methoxy-benzoic Acid Methyl Ester 
ACN-048594 
Benzoicacid,3,4-diamino-2-methoxy-,methylester 
AK141357 
Benzoic acid, 3,4-diamino-2-methoxy-, methyl ester (9CI) 
Benzoic acid, 3,4-diamino-2-methoxy-, methyl ester 
SCHEMBL5553956 
CTK1G7815 
DTXSID40477515 
KS-000000QQ 
Literature
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