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566158-79-0 molecular structure
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2-(2-methylpyridin-4-yl)propan-2-amine

ChemBase ID: 814729
Molecular Formular: C9H14N2
Molecular Mass: 150.22086
Monoisotopic Mass: 150.11569846
SMILES and InChIs

SMILES:
CC(C)(N)c1cc(ncc1)C
Canonical SMILES:
Cc1nccc(c1)C(N)(C)C
InChI:
InChI=1S/C9H14N2/c1-7-6-8(4-5-11-7)9(2,3)10/h4-6H,10H2,1-3H3
InChIKey:
WKLAAQDDNJCIMM-UHFFFAOYSA-N

Cite this record

CBID:814729 http://www.chembase.cn/molecule-814729.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-(2-methylpyridin-4-yl)propan-2-amine
IUPAC Traditional name
2-(2-methylpyridin-4-yl)propan-2-amine
Synonyms
2-(2-methylpyridin-4-yl)propan-2-amine
CAS Number
566158-79-0

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O36955 external link Add to cart
Data Source Data ID Price
A&J Pharmtech
AJA-O36955 external link Add to cart Please log in.
Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -2.3095844  LogD (pH = 7.4) -1.5995182 
Log P 0.70986366  Molar Refractivity 46.023 cm3
Polarizability 18.262587 Å3 Polar Surface Area 38.91 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Product Information Bioassay(PubChem)
Purity
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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