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1060806-38-3 molecular structure
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3-(6-methylpyridin-3-yl)propan-1-amine

ChemBase ID: 814723
Molecular Formular: C9H14N2
Molecular Mass: 150.22086
Monoisotopic Mass: 150.11569846
SMILES and InChIs

SMILES:
C(CCc1cnc(cc1)C)N
Canonical SMILES:
NCCCc1ccc(nc1)C
InChI:
InChI=1S/C9H14N2/c1-8-4-5-9(7-11-8)3-2-6-10/h4-5,7H,2-3,6,10H2,1H3
InChIKey:
RXCPNSZZTUSKGE-UHFFFAOYSA-N

Cite this record

CBID:814723 http://www.chembase.cn/molecule-814723.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
3-(6-methylpyridin-3-yl)propan-1-amine
IUPAC Traditional name
3-(6-methylpyridin-3-yl)propan-1-amine
Synonyms
3-(6-methylpyridin-3-yl)propan-1-amine
CAS Number
1060806-38-3

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O36949 external link Add to cart
Data Source Data ID Price
A&J Pharmtech
AJA-O36949 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) -2.9605412  LogD (pH = 7.4) -1.7754269 
Log P 0.7459419  Molar Refractivity 46.322 cm3
Polarizability 18.187323 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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