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85169-32-0 molecular structure
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bis(2-amino-2-(hydroxymethyl)propane-1,3-diol); butanedioic acid

ChemBase ID: 132389
Molecular Formular: C12H28N2O10
Molecular Mass: 360.35812
Monoisotopic Mass: 360.17439511
SMILES and InChIs

SMILES:
C(CC(=O)O)C(=O)O.C(C(CO)(CO)N)O.C(C(CO)(CO)N)O
Canonical SMILES:
OC(=O)CCC(=O)O.OCC(CO)(CO)N.OCC(CO)(CO)N
InChI:
InChI=1S/2C4H11NO3.C4H6O4/c2*5-4(1-6,2-7)3-8;5-3(6)1-2-4(7)8/h2*6-8H,1-3,5H2;1-2H2,(H,5,6)(H,7,8)
InChIKey:
CFJZQNZZGQDONE-UHFFFAOYSA-N

Cite this record

CBID:132389 http://www.chembase.cn/molecule-132389.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
bis(2-amino-2-(hydroxymethyl)propane-1,3-diol); butanedioic acid
IUPAC Traditional name
succinic acid; bis(tris buffer)
Synonyms
Trizma® succinate
2-Amino-2-(hydroxymethyl)-1,3-propanediol succinate
Di(tris[hydroxymethyl]aminomethane) succinate
Tris succinate
Tris(hydroxymethyl)aminomethane succinate
2-氨基-2-(羟甲基)-1,3-丙二醇琥珀酸盐
Tris 琥珀酸盐
三(羟甲基)氨基甲烷琥珀酸盐
双(三[羟甲基]氨基甲烷)琥珀酸盐
Trizma® 琥珀酸盐
CAS Number
85169-32-0
EC Number
285-975-2
MDL Number
MFCD00058327
PubChem SID
162226666
24900430
PubChem CID
3086186

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 3086186 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 3.5541666  H Acceptors
H Donor LogD (pH = 5.5) -2.5536554 
LogD (pH = 7.4) -5.4738803  Log P -0.39848298 
Molar Refractivity 23.537 cm3 Polarizability 9.383458 Å3
Polar Surface Area 74.6 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Safety Information Product Information Bioassay(PubChem)
European Hazard Symbols
Irritant Irritant (Xi) expand Show data source
MSDS Link
Download expand Show data source
German water hazard class
3 expand Show data source
Risk Statements
36/37/38 expand Show data source
Safety Statements
26-36 expand Show data source
GHS Pictograms
GHS07 expand Show data source
GHS Signal Word
Warning expand Show data source
GHS Hazard statements
H315-H319-H335 expand Show data source
GHS Precautionary statements
P261-P305 + P351 + P338 expand Show data source
Personal Protective Equipment
dust mask type N95 (US), Eyeshields, Gloves expand Show data source
Purity
99% expand Show data source
Linear Formula
[NH2C(CH2OH)3]2 · C4H6O4 expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - T9632 external link
法律信息
Trizma 注册商标 Sigma-Aldrich Co. LLC
Sigma Aldrich - 340685 external link
Legal Information
Trizma is a registered trademark of Sigma-Aldrich Co. LLC

REFERENCES

REFERENCES

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PATENTS

PATENTS

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