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15513-18-5 molecular structure
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N-(propan-2-yl)pyridin-2-amine

ChemBase ID: 229910
Molecular Formular: C8H12N2
Molecular Mass: 136.19428
Monoisotopic Mass: 136.10004839
SMILES and InChIs

SMILES:
c1(ncccc1)NC(C)C
Canonical SMILES:
CC(Nc1ccccn1)C
InChI:
InChI=1S/C8H12N2/c1-7(2)10-8-5-3-4-6-9-8/h3-7H,1-2H3,(H,9,10)
InChIKey:
JQPJCPJUEYREHV-UHFFFAOYSA-N

Cite this record

CBID:229910 http://www.chembase.cn/molecule-229910.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
N-(propan-2-yl)pyridin-2-amine
IUPAC Traditional name
N-isopropylpyridin-2-amine
Synonyms
Isopropyl-pyridin-2-yl-amine
CAS Number
15513-18-5
MDL Number
MFCD03651790
PubChem SID
164285820
PubChem CID
2366450

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Enamine
EN300-02870 external link Add to cart Please log in.
Data Source Data ID
PubChem 2366450 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 0.60326505  LogD (pH = 7.4) 1.5328381 
Log P 1.596192  Molar Refractivity 43.5758 cm3
Polarizability 16.101528 Å3 Polar Surface Area 24.92 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Product Information Bioassay(PubChem)
Melting Point
41 - 43°C expand Show data source
Hydrophobicity(logP)
1.954 expand Show data source
Purity
95% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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