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642459-26-5 molecular structure
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6-chloro-N-cyclohexylpyrazin-2-amine

ChemBase ID: 49740
Molecular Formular: C10H14ClN3
Molecular Mass: 211.69126
Monoisotopic Mass: 211.08762514
SMILES and InChIs

SMILES:
n1c(NC2CCCCC2)cncc1Cl
Canonical SMILES:
Clc1cncc(n1)NC1CCCCC1
InChI:
InChI=1S/C10H14ClN3/c11-9-6-12-7-10(14-9)13-8-4-2-1-3-5-8/h6-8H,1-5H2,(H,13,14)
InChIKey:
OSOXULWILQPIFK-UHFFFAOYSA-N

Cite this record

CBID:49740 http://www.chembase.cn/molecule-49740.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
6-chloro-N-cyclohexylpyrazin-2-amine
IUPAC Traditional name
6-chloro-N-cyclohexylpyrazin-2-amine
Synonyms
6-Chloro-N-cyclohexyl-2-pyrazinamine
6-Chloro-N-cyclohexylpyrazin-2-amine
2-Chloro-6-(cyclohexylamino)pyrazine
CAS Number
642459-26-5
MDL Number
MFCD09800981
PubChem SID
162054503
PubChem CID
10465761

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 10465761 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 17.862694  H Acceptors
H Donor LogD (pH = 5.5) 2.2286284 
LogD (pH = 7.4) 2.228629  Log P 2.228629 
Molar Refractivity 59.1318 cm3 Polarizability 21.954998 Å3
Polar Surface Area 37.81 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Safety Information Bioassay(PubChem)
Storage Warning
IRRITANT expand Show data source
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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