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5028-25-1 molecular structure
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2-N,2-N-dimethylpyridine-2,3-diamine

ChemBase ID: 48504
Molecular Formular: C7H11N3
Molecular Mass: 137.18234
Monoisotopic Mass: 137.09529737
SMILES and InChIs

SMILES:
c1(ncccc1N)N(C)C
Canonical SMILES:
CN(c1ncccc1N)C
InChI:
InChI=1S/C7H11N3/c1-10(2)7-6(8)4-3-5-9-7/h3-5H,8H2,1-2H3
InChIKey:
IFJCSNNYWNTFDD-UHFFFAOYSA-N

Cite this record

CBID:48504 http://www.chembase.cn/molecule-48504.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-N,2-N-dimethylpyridine-2,3-diamine
IUPAC Traditional name
2-N,2-N-dimethylpyridine-2,3-diamine
Synonyms
N2,N2-Dimethyl-2,3-pyridinediamine
N~2~,N~2~-dimethyl-2,3-pyridinediamine
CAS Number
5028-25-1
MDL Number
MFCD09737533
PubChem SID
162053267
PubChem CID
15656134

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 15656134 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -0.61317503  LogD (pH = 7.4) 0.46657807 
Log P 0.62914884  Molar Refractivity 43.3436 cm3
Polarizability 15.390464 Å3 Polar Surface Area 42.15 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Safety Information Bioassay(PubChem)
Storage Warning
IRRITANT 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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