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Diethylamine 2-hydroxybenzoate

CAT: 0931-T65119-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0931-T65119-01Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
4419-92-5
Target
Others
Related Pathways
Others
Purity
0.9976
Bioactivity
Diethylamine 2-hydroxybenzoate is an aromatic compound suitable for biochemical experiments and drug synthesis research.
Smiles
O=C(O)C=1C=CC=CC1O.N(CC)CC
Molecular Formula
C11H17NO3
Molecular Weight
211.26
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Diethylamine salicylate
CAS Number4419-92-5
PubChem CID9837223
IUPAC NameN-ethylethanamine;2-hydroxybenzoic acid
Molecular FormulaC11H17NO3
Molecular Weight211.26
Topological Polar Surface Area69.6
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Heavy Atom Count15
Formal Charge0
Complexity144
SMILES
CCNCC.C1=CC=C(C(=C1)C(=O)O)O
InChI
InChI=1S/C7H6O3.C4H11N/c8-6-4-2-1-3-5(6)7(9)10;1-3-5-4-2/h1-4,8H,(H,9,10);5H,3-4H2,1-2H3
InChIKey
JGMKRAUEFASZKH-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Diethylamine salicylate
CAS: 4419-92-5
CID: 9837223
Formula: C11H17NO3
MW: 211.26
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight211.26
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Exact Mass211.12084340
Monoisotopic Mass211.12084340
Topological Polar Surface Area69.6 Ų
Heavy Atom Count15
Formal Charge0
Complexity144
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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