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1073-21-8 molecular structure
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2,4-dimethylpyridin-3-amine

ChemBase ID: 91366
Molecular Formular: C7H10N2
Molecular Mass: 122.1677
Monoisotopic Mass: 122.08439833
SMILES and InChIs

SMILES:
n1c(c(c(cc1)C)N)C
Canonical SMILES:
Nc1c(C)ccnc1C
InChI:
InChI=1S/C7H10N2/c1-5-3-4-9-6(2)7(5)8/h3-4H,8H2,1-2H3
InChIKey:
FSYHJEBPLDNXAM-UHFFFAOYSA-N

Cite this record

CBID:91366 http://www.chembase.cn/molecule-91366.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2,4-dimethylpyridin-3-amine
IUPAC Traditional name
2,4-dimethylpyridin-3-amine
Synonyms
2,4-Dimethylpyridin-3-amine
3-Amino-2,4-lutidine
3-Amino-2,4-dimethylpyridine 97%
CAS Number
1073-21-8
MDL Number
MFCD08235192
PubChem SID
162078065
PubChem CID
14910781

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Apollo Scientific
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Data Source Data ID
PubChem 14910781 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -0.6914092  LogD (pH = 7.4) 0.37143895 
Log P 0.57143897  Molar Refractivity 38.2342 cm3
Polarizability 14.099566 Å3 Polar Surface Area 38.91 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Bioassay(PubChem)
Melting Point
37-40°C expand Show data source
Storage Warning
Irritant/Store under Argon expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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