Home Amines 3119-15-1
3119-15-1,MFCD00007681
Catalog No.:AA003IRE
3119-15-1 | 3-Amino-2,4,6-triiodobenzoic acid
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1g
98%(HPLC)
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$85.00   $60.00
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5g
98%(HPLC)
in stock  
$241.00   $169.00
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25g
98%(HPLC)
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$825.00   $578.00
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  • Technical Information
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Technical Information
Catalog Number:
AA003IRE
Chemical Name:
3-Amino-2,4,6-triiodobenzoic acid
CAS Number:
3119-15-1
Molecular Formula:
C7H4I3NO2
Molecular Weight:
514.8256
MDL Number:
MFCD00007681
IUPAC Name:
3-amino-2,4,6-triiodobenzoic acid
InChI:
InChI=1S/C7H4I3NO2/c8-2-1-3(9)6(11)5(10)4(2)7(12)13/h1H,11H2,(H,12,13)
InChI Key:
QMQFFHSJUJDRPG-UHFFFAOYSA-N
SMILES:
OC(=O)c1c(I)cc(c(c1I)N)I
EC Number:
221-493-0
UNII:
99H77D8MTD
NSC Number:
60105
Properties
Computed Properties
 
Complexity:
214  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
514.738g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
514.827g/mol
Monoisotopic Mass:
514.738g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
63.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7  

Synonyms
 
3-amino-2,4,6-triiodobenzoic acid 
3-amino-2,4,6-triiodobenzoic acid monosodium salt 
99H77D8MTD 
Acido 3-amino-2,4,6-triiodobenzoico [Italian] 
BENZOIC ACID, 3-AMINO-2,4,6-TRIIODO- 
C7H4I3NO2 
NSC60105 
3-Amino-2,4,6-triiodo-Benzoicacid 
Acido 3-amino-2,4,6-triiodobenzoico 
PubChem4987 
AC1L2BXQ 
ACMC-1CO9W 
3-Amino-2,4,6-triiodobenzoic acid 
4-14-00-01118 (Beilstein Handbook Reference) 
SCHEMBL124763 
CTK3J6413 
DTXSID60185120 
QMQFFHSJUJDRPG-UHFFFAOYSA-N 
ALBB-010232 
ZINC4235679 
2,4,6-triiodo-3-aminobenzoic acid 
3-Amino-2,4,6- Trijodbenzoesaure 
ANW-44823 
3119-15-1 
NSC-60105 
SBB057028 
2,4,6-triiodo-3-amino-benzoic acid 
AKOS003382317 
AC-8763 
AN-7688 
MCULE-9775464336 
VZ26248 
LS-36066 
U348 
3-Amino-2,4,6-triiodo-benzoic acid 
RT-003002 
ST2404868 
FT-0614923 
R1183 
ST45027563 
TL80090824 
3-AMINO-2,4,6-TRIIODO BENZOIC ACID 
A18618 
I01-0019 
W-109863 
UNII-99H77D8MTD 
Z1259273374 
3-Amino-2,4,6-triiodobenzoic acid, 99% (dry wt.), may cont. up to 1 mole of water 
3-Amino-2,4,6-triiodobenzoic acid, United States Pharmacopeia (USP) Reference Standard 
InChI=1/C7H4I3NO2/c8-2-1-3(9)6(11)5(10)4(2)7(12)13/h1H,11H2,(H,12,13 
C7-H4-I3-N-O2 
CID18387 
MFCD00007681 
EINECS 221-493-0 
NSC 60105 
BRN 2113495 
Literature
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