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15931-19-8 molecular structure
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2-methylpyridine-3,4-diamine

ChemBase ID: 294313
Molecular Formular: C6H9N3
Molecular Mass: 123.15576
Monoisotopic Mass: 123.0796473
SMILES and InChIs

SMILES:
Cc1nccc(N)c1N
Canonical SMILES:
Nc1c(N)ccnc1C
InChI:
InChI=1S/C6H9N3/c1-4-6(8)5(7)2-3-9-4/h2-3H,8H2,1H3,(H2,7,9)
InChIKey:
CXCMHIHWZCWXQU-UHFFFAOYSA-N

Cite this record

CBID:294313 http://www.chembase.cn/molecule-294313.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-methylpyridine-3,4-diamine
IUPAC Traditional name
2-methylpyridine-3,4-diamine
Synonyms
2-Methylpyridine-3,4-diamine
CAS Number
15931-19-8
MDL Number
MFCD10000599
PubChem SID
180679844
PubChem CID
19088666

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 19088666 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -2.2209315  LogD (pH = 7.4) -2.1408947 
Log P -0.77090836  Molar Refractivity 37.8934 cm3
Polarizability 13.469677 Å3 Polar Surface Area 64.93 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Product Information Bioassay(PubChem)
Purity
95+% expand Show data source
98% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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