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57166-92-4 molecular structure
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methanediamine dihydrochloride

ChemBase ID: 111839
Molecular Formular: CH8Cl2N2
Molecular Mass: 118.99362
Monoisotopic Mass: 118.00645363
SMILES and InChIs

SMILES:
Cl.Cl.NCN
Canonical SMILES:
NCN.Cl.Cl
InChI:
InChI=1S/CH6N2.2ClH/c2-1-3;;/h1-3H2;2*1H
InChIKey:
QCYJCJJCNRIMNG-UHFFFAOYSA-N

Cite this record

CBID:111839 http://www.chembase.cn/molecule-111839.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
methanediamine dihydrochloride
IUPAC Traditional name
methanediamine dihydrochloride
Synonyms
METHYLENEDIAMINE DIHYDROCHLORIDE
Diaminomethane dihydrochloride
Methylenediamine dihydrochloride
二氨基甲烷 二盐酸盐
亚甲基二胺 二盐酸盐
CAS Number
57166-92-4
EC Number
260-602-6
MDL Number
MFCD00040377
Beilstein Number
3664689
PubChem SID
162096640
24884936
PubChem CID
171572

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 171572 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -4.7789187  LogD (pH = 7.4) -2.513733 
Log P -1.3123417  Molar Refractivity 12.6781 cm3
Polarizability 5.6274314 Å3 Polar Surface Area 52.04 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Safety Information Product Information Bioassay(PubChem)
MSDS Link
Download expand Show data source
Download expand Show data source
German water hazard class
3 expand Show data source
Personal Protective Equipment
Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter expand Show data source
Storage Temperature
2-8°C expand Show data source
Purity
≥98.0% (AT) expand Show data source
Certificate of Analysis
Download expand Show data source
Linear Formula
CH2(NH2)2 · 2HCl expand Show data source

DETAILS

DETAILS

MP Biomedicals MP Biomedicals Sigma Aldrich Sigma Aldrich
MP Biomedicals - 05221241 external link
MP Biomedicals Rare Chemical collection
Sigma Aldrich - 66770 external link
Packaging
10 g in glass bottle

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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