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3458-72-8 molecular structure
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2-hydroxypropane-1,2,3-tricarboxylic acid triamine

ChemBase ID: 87352
Molecular Formular: C6H17N3O7
Molecular Mass: 243.21508
Monoisotopic Mass: 243.1066499
SMILES and InChIs

SMILES:
OC(=O)CC(CC(=O)O)(C(=O)O)O.N.N.N
Canonical SMILES:
OC(=O)C(CC(=O)O)(CC(=O)O)O.N.N.N
InChI:
InChI=1S/C6H8O7.3H3N/c7-3(8)1-6(13,5(11)12)2-4(9)10;;;/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);3*1H3
InChIKey:
YWYZEGXAUVWDED-UHFFFAOYSA-N

Cite this record

CBID:87352 http://www.chembase.cn/molecule-87352.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-hydroxypropane-1,2,3-tricarboxylic acid triamine
IUPAC Traditional name
citro triamine
Synonyms
Triammonium citrate
2-Hydroxypropane-1,2,3-tricarboxylic acid triammoniate
Ammonium citrate tribasic
Triammonium citrate 99-101%
Citric acid triammonium salt
AMMONIUM CITRATE TRIBASIC ANHYDROUS
Ammonium citrate tribasic
柠檬酸 三铵盐
柠檬酸三铵
CAS Number
3458-72-8
EC Number
222-394-5
MDL Number
MFCD00036406
Beilstein Number
3779194
PubChem SID
162074458
24890533
PubChem CID
13725959

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 3.0479515  H Acceptors
H Donor LogD (pH = 5.5) -4.949584 
LogD (pH = 7.4) -9.468992  Log P -1.3226875 
Molar Refractivity 35.6239 cm3 Polarizability 14.4795475 Å3
Polar Surface Area 132.13 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Solubility
Soluble in water expand Show data source
Melting Point
185 °C (dec.)(lit.) expand Show data source
185°C expand Show data source
ca 180°C dec. expand Show data source
Boiling Point
100 °C(lit.) expand Show data source
Density
1 g/mL at 25 °C(lit.) expand Show data source
Storage Condition
Room Temperature (15-30°C) expand Show data source
Storage Warning
Irritant expand Show data source
European Hazard Symbols
Irritant Irritant (Xi) expand Show data source
MSDS Link
Download expand Show data source
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
26-37 expand Show data source
TSCA Listed
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
P261-P305+P351+P338-P302+P352-P321-P405-P501A expand Show data source
Personal Protective Equipment
dust mask type N95 (US), Eyeshields, Gloves expand Show data source
Purity
≥97% (titration) expand Show data source
≥97.0% (T) expand Show data source
97+% expand Show data source
98% expand Show data source
Grade
purum expand Show data source
Certificate of Analysis
Download expand Show data source
Linear Formula
HOC(CO2NH4)(CH2CO2NH4)2 expand Show data source

DETAILS

DETAILS

MP Biomedicals MP Biomedicals Sigma Aldrich Sigma Aldrich
MP Biomedicals - 02193849 external link
Tribasic
Anhydrous
Purity: 98%
Sigma Aldrich - A1332 external link
包装
100, 500 g in poly bottle

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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