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- ChemComp-BTB: 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL -

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Basic information

EntryDatabase: PDB chemical components / ID: BTB
NameName: 2-[bis-(2-hydroxy-ethyl)-amino]-2-hydroxymethyl-propane-1,3-diol
Synonyms: BIS-TRIS BUFFER
CommentpH buffer*YM

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Chemical information

Composition
Formula: C8H19NO5 / Number of atoms: 33 / Formula weight: 209.24 / Formal charge: 0
Others

1ag9

148

Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: BTB / Model coordinates PDB-ID: 1AG9 / Replaces: 148
History
Create componentJul 8, 1999
Modify descriptorJun 4, 2011
Modify synonymsJun 5, 2020
External linksUniChem / ChemSpider / Wikipedia search / Google search

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Structure visualization

Structure viewerMolecule:
MolmilJmol/JSmol

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Details

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SMILES

ACDLabs 10.04OCCN(C(CO)(CO)CO)CCO
CACTVS 3.341OCCN(CCO)C(CO)(CO)CO
OpenEye OEToolkits 1.5.0C(CO)N(CCO)C(CO)(CO)CO

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SMILES CANONICAL

CACTVS 3.341OCCN(CCO)C(CO)(CO)CO
OpenEye OEToolkits 1.5.0C(CO)N(CCO)C(CO)(CO)CO

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InChI

InChI 1.03InChI=1S/C8H19NO5/c10-3-1-9(2-4-11)8(5-12,6-13)7-14/h10-14H,1-7H2

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InChIKey

InChI 1.03OWMVSZAMULFTJU-UHFFFAOYSA-N

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SYSTEMATIC NAME

ACDLabs 10.042-[bis(2-hydroxyethyl)amino]-2-(hydroxymethyl)propane-1,3-diol
OpenEye OEToolkits 1.5.02-(bis(2-hydroxyethyl)amino)-2-(hydroxymethyl)propane-1,3-diol

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