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43086-58-4 molecular structure
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sulfuric acid di(15N)amine

ChemBase ID: 135772
Molecular Formular: H8N2O4S
Molecular Mass: 134.1263378
Monoisotopic Mass: 134.01454753
SMILES and InChIs

SMILES:
[15NH3].[15NH3].OS(=O)(=O)O
Canonical SMILES:
OS(=O)(=O)O.[15NH3].[15NH3]
InChI:
InChI=1S/2H3N.H2O4S/c;;1-5(2,3)4/h2*1H3;(H2,1,2,3,4)/i2*1+1;
InChIKey:
BFNBIHQBYMNNAN-ISOLYIDJSA-N

Cite this record

CBID:135772 http://www.chembase.cn/molecule-135772.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
sulfuric acid di(15N)amine
IUPAC Traditional name
sulfuric acid di(15N)amine
Synonyms
15N Labeled ammonium sulfate
Diazanium-15N2 sulfate
Ammonium-15N2 sulfate
硫酸铵-15N2
CAS Number
43086-58-4
MDL Number
MFCD00003392
PubChem SID
24858031
24861577
162230044
24872330
24872329
PubChem CID
53393618

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa -3.034349  H Acceptors
H Donor LogD (pH = 5.5) -5.569452 
LogD (pH = 7.4) -5.594027  Log P -0.841552 
Molar Refractivity 13.7708 cm3 Polarizability 6.279968 Å3
Polar Surface Area 74.6 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
MSDS Link
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German water hazard class
1 expand Show data source
Personal Protective Equipment
Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter expand Show data source
Isotopic Purity
10 atom % 15N expand Show data source
15 atom % 15N expand Show data source
2 atom % 15N expand Show data source
20 atom % 15N expand Show data source
30 atom % 15N expand Show data source
5 atom % 15N expand Show data source
60 atom % 15N expand Show data source
98 atom % 15N expand Show data source
Mol. Weight
mol wt 132.17 by atom % calculation expand Show data source
mol wt 132.24 by atom % calculation expand Show data source
mol wt 132.34 by atom % calculation expand Show data source
mol wt 132.44 by atom % calculation expand Show data source
mol wt 132.54 by atom % calculation expand Show data source
mol wt 132.74 by atom % calculation expand Show data source
mol wt 133.34 by atom % calculation expand Show data source
mol wt 134.09 by atom % calculation expand Show data source
Linear Formula
(15NH4)2SO4 expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 488097 external link
Packaging
5 g in glass bottle
This product may be available from bulk stock and can be packaged on demand. For information on pricing, availability and packaging, please contact Stable Isotopes Customer Service.
Sigma Aldrich - 348473 external link
Packaging
5, 25 g in glass bottle
This product may be available from bulk stock and can be packaged on demand. For information on pricing, availability and packaging, please contact Stable Isotopes Customer Service.
Sigma Aldrich - 488089 external link
Packaging
250 g in glass bottle
This product may be available from bulk stock and can be packaged on demand. For information on pricing, availability and packaging, please contact Stable Isotopes Customer Service.
Sigma Aldrich - 609404 external link
Packaging
This product may be available from bulk stock and can be packaged on demand. For information on pricing, availability and packaging, please contact Stable Isotopes Customer Service.
Sigma Aldrich - 633852 external link
Packaging
This product may be available from bulk stock and can be packaged on demand. For information on pricing, availability and packaging, please contact Stable Isotopes Customer Service.
Sigma Aldrich - 609420 external link
Packaging
This product may be available from bulk stock and can be packaged on demand. For information on pricing, availability and packaging, please contact Stable Isotopes Customer Service.
Sigma Aldrich - 299286 external link
Packaging
1, 10, 20 g in glass bottle
250 mg in glass bottle
This product may be available from bulk stock and can be packaged on demand. For information on pricing, availability and packaging, please contact Stable Isotopes Customer Service.
Sigma Aldrich - 609447 external link
Packaging
This product may be available from bulk stock and can be packaged on demand. For information on pricing, availability and packaging, please contact Stable Isotopes Customer Service.

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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