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61655-72-9 molecular structure
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6-chloro-N,N-dimethylpyrazin-2-amine

ChemBase ID: 48397
Molecular Formular: C6H8ClN3
Molecular Mass: 157.60082
Monoisotopic Mass: 157.04067495
SMILES and InChIs

SMILES:
n1c(N(C)C)cncc1Cl
Canonical SMILES:
CN(c1cncc(n1)Cl)C
InChI:
InChI=1S/C6H8ClN3/c1-10(2)6-4-8-3-5(7)9-6/h3-4H,1-2H3
InChIKey:
IEITVVMHFLZNPZ-UHFFFAOYSA-N

Cite this record

CBID:48397 http://www.chembase.cn/molecule-48397.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
6-chloro-N,N-dimethylpyrazin-2-amine
IUPAC Traditional name
6-chloro-N,N-dimethylpyrazin-2-amine
Synonyms
N-(6-Chloro-2-pyrazinyl)-N,N-dimethylamine
6-chloro-N,N-dimethylpyrazin-2-amine
6-chloro-N,N-dimethyl-2-pyrazinamine
CAS Number
61655-72-9
MDL Number
MFCD12024889
PubChem SID
162053160
PubChem CID
23273443

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 1.0646218  LogD (pH = 7.4) 1.0646242 
Log P 1.0646242  Molar Refractivity 42.3524 cm3
Polarizability 15.340877 Å3 Polar Surface Area 29.02 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
44 - 46°C expand Show data source
Hydrophobicity(logP)
1.34 expand Show data source
Storage Warning
IRRITANT expand Show data source
MSDS Link
Download expand Show data source
TSCA Listed
false expand Show data source
Purity
95% expand Show data source
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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