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25148-68-9 molecular structure
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1-N-methylbenzene-1,2-diamine dihydrochloride

ChemBase ID: 55180
Molecular Formular: C7H12Cl2N2
Molecular Mass: 195.08958
Monoisotopic Mass: 194.03775375
SMILES and InChIs

SMILES:
c1c(c(ccc1)NC)N.Cl.Cl
Canonical SMILES:
CNc1ccccc1N.Cl.Cl
InChI:
InChI=1S/C7H10N2.2ClH/c1-9-7-5-3-2-4-6(7)8;;/h2-5,9H,8H2,1H3;2*1H
InChIKey:
DKEONVNYXODZRQ-UHFFFAOYSA-N

Cite this record

CBID:55180 http://www.chembase.cn/molecule-55180.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
1-N-methylbenzene-1,2-diamine dihydrochloride
IUPAC Traditional name
1-N-methylbenzene-1,2-diamine dihydrochloride
Synonyms
N-Methylphenylene-1,2-diamine dihydrochloride
2-(Methylamino)aniline dihydrochloride
N-Methylbenzene-1,2-diamine dihydrochloride
CAS Number
25148-68-9
MDL Number
MFCD00042021
PubChem SID
162059943
PubChem CID
91296

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 91296 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 0.5054294  LogD (pH = 7.4) 0.6154971 
Log P 0.617098  Molar Refractivity 40.9522 cm3
Polarizability 14.460389 Å3 Polar Surface Area 38.05 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Bioassay(PubChem)
Melting Point
192°C expand Show data source
Storage Warning
IRRITANT expand Show data source
Toxic expand Show data source
MSDS Link
Download expand Show data source
TSCA Listed
false expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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