Home Amines 2458-12-0
2458-12-0,MFCD00007742
Catalog No.:AA003IT2
2458-12-0 | 3-Amino-4-methylbenzoic acid
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Purity
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Price(USD)
Quantity
  
25g
98%
in stock  
$15.00   $10.00
- +
500g
98%
in stock  
$208.00   $145.00
- +
  • Technical Information
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  • Literature
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  • Q & A
  • Technical Information
  • Properties
  • Literature
Technical Information
Catalog Number:
AA003IT2
Chemical Name:
3-Amino-4-methylbenzoic acid
CAS Number:
2458-12-0
Molecular Formula:
C8H9NO2
Molecular Weight:
151.1626
MDL Number:
MFCD00007742
IUPAC Name:
3-amino-4-methylbenzoic acid
InChI:
InChI=1S/C8H9NO2/c1-5-2-3-6(8(10)11)4-7(5)9/h2-4H,9H2,1H3,(H,10,11)
InChI Key:
XKFIFYROMAAUDL-UHFFFAOYSA-N
SMILES:
OC(=O)c1ccc(c(c1)N)C
EC Number:
219-543-1
UNII:
BU165505VM
NSC Number:
597
Properties
Computed Properties
 
Complexity:
158  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
151.063g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
151.165g/mol
Monoisotopic Mass:
151.063g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
63.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.3  

Synonyms
 
3-Amino-4-methylbenzoic acid 
2458-12-0 
EINECS 219-543-1 
PubChem8194 
AC1Q2FJK 
ACMC-209gd7 
AC1L2P1M 
AC1Q5TR1 
KSC204I9F 
SCHEMBL377075 
UNII-BU165505VM 
3-amino 4-methyl benzoic acid 
3-Amino-p-toluic acid 
3-Amino-4-methyl benzoic acid 
Jsp004908 
CTK1A4492 
KS-00000CAB 
DTXSID30179319 
NSC-597 
BU165505VM 
ZINC164385 
BCP24514 
ANW-25481 
3-Amino-4-Methyl-Benzoic Acid 
BBL009326 
SBB063163 
STK498489 
AKOS000120237 
AC-5774 
CS-W010963 
MCULE-3449893724 
RP21473 
RTR-036249 
TRA0014612 
3-Amino-4-methylbenzoicacid 
AJ-16131 
AK-34321 
AN-10637 
AS-12553 
BC201386 
BR-34321 
SC-02834 
SY001489 
AB0012122 
AB1002582 
MFCD00007742 
TL8002017 
TR-036249 
A0920 
A5048 
AM20060571 
FT-0614989 
ST24032582 
ST50824261 
MFCD00007742 (98%) 
M-6201 
Benzoic acid, 3-amino-4-methyl- 
114252-EP2289894A2 
114252-EP2298743A1 
I01-0661 
Q-200358 
Z57127001 
F2191-0175 
InChI=1/C8H9NO2/c1-5-2-3-6(8(10)11)4-7(5)9/h2-4H,9H2,1H3,(H,10,11 
C8H9NO2 
Acide amino-3-methyl-4-benzoique 
C8-H9-N-O2 
XKFIFYROMAAUDL-UHFFFAOYSA-N 
CID75568 
AR-1F1815 
benzoic acid, 3-amino-4-methyl- (9ci) 
3'-Amino-2'-hydroxyacetophenone hydrochloride 
3-Amino-4-methylbenzoic acid, 99% - 100G 100g 
25254-20-0 
3-Amino-4-methylbenzoic acid, 99% 
NSC597 
Literature
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