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Tyrphostin AG 957

CAT: 0572-TRC-T947970-25MGSize: 25 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-T947970-25MGSize:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
140674-76-6
Synonyms
AG 957; NSC 654705
Hazard Statement
No Data Available
Smiles
COC(=O)c1ccc(NCc2cc(O)ccc2O)cc1
Molecular Formula
C15 H15 N O4
Molecular Weight
273.28
InChI
InChI=1S/C15H15NO4/c1-20-15(19)10-2-4-12(5-3-10)16-9-11-8-13(17)6-7-14(11)18/h2-8,16-18H,9H2,1H3
Additionnal Information
IUPAC name: methyl 4-[(2,5-dihydroxyphenyl)methylamino]benzoate
Shipping Conditions
Room Temperature

Chemical Information

Benzoic acid, 4-[[(2,5-dihydroxyphenyl)methyl]amino]-, methyl ester

4-[(2,5-dihydroxyphenyl)methylamino]benzoic acid methyl ester is an aromatic amine.

CAS Number140674-76-6
PubChem CID2064
IUPAC Namemethyl 4-[(2,5-dihydroxyphenyl)methylamino]benzoate
Molecular FormulaC15H15NO4
Molecular Weight273.28
XLogP2.5
Topological Polar Surface Area78.8
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count5
Heavy Atom Count20
Formal Charge0
Complexity315
SMILES
COC(=O)C1=CC=C(C=C1)NCC2=C(C=CC(=C2)O)O
InChI
InChI=1S/C15H15NO4/c1-20-15(19)10-2-4-12(5-3-10)16-9-11-8-13(17)6-7-14(11)18/h2-8,16-18H,9H2,1H3
InChIKey
QSFREBZMBNRGOK-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Benzoic acid, 4-[[(2,5-dihydroxyphenyl)methyl]amino]-, methyl ester
CAS: 140674-76-6
CID: 2064
Formula: C15H15NO4
MW: 273.28
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight273.28
XLogP32.5
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count5
Exact Mass273.10010796
Monoisotopic Mass273.10010796
Topological Polar Surface Area78.8 Ų
Heavy Atom Count20
Formal Charge0
Complexity315
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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