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42753-67-3 molecular structure
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3-ethylpyridin-2-amine

ChemBase ID: 168741
Molecular Formular: C7H10N2
Molecular Mass: 122.1677
Monoisotopic Mass: 122.08439833
SMILES and InChIs

SMILES:
c1cnc(c(c1)CC)N
Canonical SMILES:
CCc1cccnc1N
InChI:
InChI=1S/C7H10N2/c1-2-6-4-3-5-9-7(6)8/h3-5H,2H2,1H3,(H2,8,9)
InChIKey:
WTAZAHLROWIQRC-UHFFFAOYSA-N

Cite this record

CBID:168741 http://www.chembase.cn/molecule-168741.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
3-ethylpyridin-2-amine
IUPAC Traditional name
3-ethylpyridin-2-amine
Synonyms
2-Amino-3-ethylpyridine
3-Ethylpyridin-2-amine
3-Ethyl-2-pyridinamine
3-ethylpyridin-2-amine
CAS Number
42753-67-3
MDL Number
MFCD07774120
PubChem SID
162262873
PubChem CID
11051636

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 11051636 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 0.16879374  LogD (pH = 7.4) 1.2534583 
Log P 1.479095  Molar Refractivity 38.5572 cm3
Polarizability 14.17789 Å3 Polar Surface Area 38.91 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
38 - 40°C expand Show data source
Hydrophobicity(logP)
1.296 expand Show data source
MSDS Link
Download expand Show data source
Purity
95% expand Show data source
96% expand Show data source
Certificate of Analysis
Download expand Show data source

DETAILS

DETAILS

TRC TRC
Toronto Research Chemicals - E925595 external link
A pyridine derivative used in the preparation of glutaramides as potential inhibitors of neutral endopeptidase.

REFERENCES

REFERENCES

From Suppliers Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
  • • Pryde, D.C. et al.: J. med. Chem., 49, 4409 (2006)
  • • Maw, G.N. et al.: Chem. Biol. Drug Des., 67, 74 (2006)
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PATENTS

PATENTS

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INTERNET

INTERNET

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