Home > Compound List > Compound details
27854-90-6 molecular structure
click picture or here to close

(1S)-1-(pyridin-2-yl)ethan-1-amine

ChemBase ID: 70709
Molecular Formular: C7H10N2
Molecular Mass: 122.1677
Monoisotopic Mass: 122.08439833
SMILES and InChIs

SMILES:
N[C@@H](C)c1ccccn1
Canonical SMILES:
C[C@@H](c1ccccn1)N
InChI:
InChI=1S/C7H10N2/c1-6(8)7-4-2-3-5-9-7/h2-6H,8H2,1H3/t6-/m0/s1
InChIKey:
PDNHLCRMUIGNBV-LURJTMIESA-N

Cite this record

CBID:70709 http://www.chembase.cn/molecule-70709.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
(1S)-1-(pyridin-2-yl)ethan-1-amine
IUPAC Traditional name
(1S)-1-(pyridin-2-yl)ethanamine
Synonyms
(S)-1-Pyridin-2-yl-ethylamine
(1S)-1-(pyridin-2-yl)ethan-1-amine
(S)-1-(Pyridin-2-yl)ethanamine
CAS Number
27854-90-6
MDL Number
MFCD08752493
PubChem SID
162036422
PubChem CID
1084917

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 1084917 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -2.3010938  LogD (pH = 7.4) -0.8411685 
Log P 0.53157794  Molar Refractivity 36.3462 cm3
Polarizability 14.650816 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)
Hydrophobicity(logP)
-0.094 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
95+% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

From Suppliers Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
    No data available
  • Searching...Please wait...

PATENTS

PATENTS

PubChem iconPubChem Patent Google Patent Search IconGoogle Patent

INTERNET

INTERNET

Baidu iconBaidu google iconGoogle