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615-47-4 molecular structure
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benzene-1,2,4-triamine dihydrochloride

ChemBase ID: 293706
Molecular Formular: C6H11Cl2N3
Molecular Mass: 196.07764
Monoisotopic Mass: 195.03300273
SMILES and InChIs

SMILES:
Nc1ccc(N)cc1N.Cl.Cl
Canonical SMILES:
Nc1ccc(c(c1)N)N.Cl.Cl
InChI:
InChI=1S/C6H9N3.2ClH/c7-4-1-2-5(8)6(9)3-4;;/h1-3H,7-9H2;2*1H
InChIKey:
RKMFFOLUBJFMBQ-UHFFFAOYSA-N

Cite this record

CBID:293706 http://www.chembase.cn/molecule-293706.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
benzene-1,2,4-triamine dihydrochloride
IUPAC Traditional name
1,2,4-triaminobenzene dihydrochloride
Synonyms
1,2,4-Benzenetriamine dihydrochloride
1,2,4-Triaminobenzene dihydrochloride
Benzene-1,2,4-triamine dihydrochloride
1,2,4-三氨基苯 二盐酸盐
CAS Number
615-47-4
EC Number
210-428-1
MDL Number
MFCD00016619
PubChem SID
180679237
PubChem CID
94179

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 94179 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -1.7092589  LogD (pH = 7.4) -0.59285647 
Log P -0.51353204  Molar Refractivity 40.1592 cm3
Polarizability 13.747009 Å3 Polar Surface Area 78.06 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
ca 290°C dec. expand Show data source
Storage Warning
Hygroscopic expand Show data source
RTECS
DC1953000 expand Show data source
European Hazard Symbols
X expand Show data source
Risk Statements
22-36/37/38 expand Show data source
Safety Statements
26-36/37 expand Show data source
TSCA Listed
expand Show data source
GHS Pictograms
GHS06 expand Show data source
GHS Hazard statements
H301-H315-H319-H335 expand Show data source
GHS Precautionary statements
P261-P301+P310-P305+P351+P338-P302+P352-P405-P501A expand Show data source
Purity
96% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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