Home Amines 55739-39-4
55739-39-4,MFCD07366484
Catalog No.:AA003I4H
55739-39-4 | 3-(Carboxymethylaminomethyl)-4-hydroxybenzoic acid
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1g
1 week  
$134.00   $94.00
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5g
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$350.00   $245.00
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10g
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$572.00   $400.00
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Technical Information
Catalog Number:
AA003I4H
Chemical Name:
3-(Carboxymethylaminomethyl)-4-hydroxybenzoic acid
CAS Number:
55739-39-4
Molecular Formula:
C10H11NO5
Molecular Weight:
225.1980
MDL Number:
MFCD07366484
IUPAC Name:
3-[(carboxymethylamino)methyl]-4-hydroxybenzoic acid
InChI:
InChI=1S/C10H11NO5/c12-8-2-1-6(10(15)16)3-7(8)4-11-5-9(13)14/h1-3,11-12H,4-5H2,(H,13,14)(H,15,16)
InChI Key:
ZASGCNOMAYYQIX-UHFFFAOYSA-N
SMILES:
OC(=O)CNCc1cc(ccc1O)C(=O)O
Properties
Computed Properties
 
Complexity:
268  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
225.064g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
4  
Isotope Atom Count:
0
Molecular Weight:
225.2g/mol
Monoisotopic Mass:
225.064g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
107A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.7  

Synonyms
 
3-(Carboxymethylaminomethyl)-4-hydroxybenzoic acid 
55739-39-4 
AC1Q762B 
DTXSID40407296 
ZINC389806 
AKOS024386573 
MCULE-2328539020 
BP-13256 
OR322055 
TC-170167 
FT-0640336 
ST51038241 
2-Hydroxy-5-carboxy-benzylamino acetic acid 
3-Carboxymethylaminomethyl-4-hydroxybenzoic acid 
3-(Carboxymethylaminomethyl)-4-hydroxybenzoic acid, technical grade, 85% 
CID4989777 
3-[(carboxymethylamino)methyl]-4-hydroxy-benzoic Acid 
3-(((Carboxymethyl)amino)methyl)-4-hydroxybenzoic acid 
3-((carboxymethylamino)methyl)-4-hydroxybenzoic acid 
3-[(carboxymethylamino)methyl]-4-hydroxybenzoic acid 
3-{[(carboxymethyl)amino]methyl}-4-hydroxybenzoic acid 
ACMC-20anj4 
AC1NLTL7 
SCHEMBL712097 
Literature
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