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25723-52-8 molecular structure
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ethane-1,2-diamine; sulfuric acid

ChemBase ID: 109396
Molecular Formular: C2H10N2O4S
Molecular Mass: 158.1768
Monoisotopic Mass: 158.03612781
SMILES and InChIs

SMILES:
NCCN.OS(=O)(=O)O
Canonical SMILES:
OS(=O)(=O)O.NCCN
InChI:
InChI=1S/C2H8N2.H2O4S/c3-1-2-4;1-5(2,3)4/h1-4H2;(H2,1,2,3,4)
InChIKey:
BNZCDZDLTIHJAC-UHFFFAOYSA-N

Cite this record

CBID:109396 http://www.chembase.cn/molecule-109396.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
ethane-1,2-diamine; sulfuric acid
IUPAC Traditional name
ethylenediamine; sulfuric acid
Synonyms
ETHYLENEDIAMINE SULFATE
CAS Number
25723-52-8
EC Number
247-209-5
PubChem SID
162095259
PubChem CID
168015

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
MP Biomedicals
05210869 external link Add to cart Please log in.
Data Source Data ID
PubChem 168015 external link

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

Safety Information Product Information Bioassay(PubChem)
RTECS
KV5425000 expand Show data source
MSDS Link
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Certificate of Analysis
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DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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