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1196152-46-1 molecular structure
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2-(5-methoxypyrazin-2-yl)ethan-1-amine

ChemBase ID: 814308
Molecular Formular: C7H11N3O
Molecular Mass: 153.18174
Monoisotopic Mass: 153.09021199
SMILES and InChIs

SMILES:
C(Cc1cnc(cn1)OC)N
Canonical SMILES:
COc1cnc(cn1)CCN
InChI:
InChI=1S/C7H11N3O/c1-11-7-5-9-6(2-3-8)4-10-7/h4-5H,2-3,8H2,1H3
InChIKey:
BXVNBPNUEWFQOF-UHFFFAOYSA-N

Cite this record

CBID:814308 http://www.chembase.cn/molecule-814308.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-(5-methoxypyrazin-2-yl)ethan-1-amine
IUPAC Traditional name
2-(5-methoxypyrazin-2-yl)ethanamine
Synonyms
2-(5-methoxypyrazin-2-yl)ethanamine
CAS Number
1196152-46-1

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O36468 external link Add to cart
Data Source Data ID Price
A&J Pharmtech
AJA-O36468 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) -3.5743756  LogD (pH = 7.4) -2.681153 
Log P -0.5810597  Molar Refractivity 41.1715 cm3
Polarizability 16.196617 Å3 Polar Surface Area 61.03 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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