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84050-98-6 molecular structure
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ethane-1,2-di(15N)amine dihydrochloride

ChemBase ID: 139775
Molecular Formular: C2H10Cl2N2
Molecular Mass: 135.0070178
Monoisotopic Mass: 134.01617348
SMILES and InChIs

SMILES:
C(C[15NH2])[15NH2].Cl.Cl
Canonical SMILES:
[15NH2]CC[15NH2].Cl.Cl
InChI:
InChI=1S/C2H8N2.2ClH/c3-1-2-4;;/h1-4H2;2*1H/i3+1,4+1;;
InChIKey:
OHHBFEVZJLBKEH-MWLKZMJOSA-N

Cite this record

CBID:139775 http://www.chembase.cn/molecule-139775.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
ethane-1,2-di(15N)amine dihydrochloride
IUPAC Traditional name
ethane-1,2-di(15N)amine dihydrochloride
Synonyms
Ethylenediamine-15N2 dihydrochloride
乙二胺-15N2 二盐酸盐
CAS Number
84050-98-6
MDL Number
MFCD00084212
PubChem SID
162234023
PubChem CID
71310328

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Sigma Aldrich
608815 external link Add to cart Please log in.
Data Source Data ID
PubChem 71310328 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -5.91292  LogD (pH = 7.4) -3.7797713 
Log P -1.4224427  Molar Refractivity 17.8686 cm3
Polarizability 7.4730473 Å3 Polar Surface Area 52.04 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Mass Shift
M+2 expand Show data source
European Hazard Symbols
Harmful Harmful (Xn) expand Show data source
MSDS Link
Download expand Show data source
German water hazard class
2 expand Show data source
Risk Statements
22-36/37/38-42/43 expand Show data source
Safety Statements
22-26-36/37-45 expand Show data source
GHS Pictograms
GHS07 expand Show data source
GHS08 expand Show data source
GHS Signal Word
Danger expand Show data source
GHS Hazard statements
H302-H315-H317-H319-H334-H335 expand Show data source
GHS Precautionary statements
P261-P280-P305 + P351 + P338-P342 + P311 expand Show data source
Purity
99% (CP) expand Show data source
Isotopic Purity
98 atom % 15N expand Show data source
Mol. Weight
mol wt 134.97 by atom % calculation expand Show data source
Linear Formula
H215NCH2CH215NH2 · 2HCl expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 608815 external link
Packaging
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.

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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