Home > Compound List > Compound details
27311-25-7 molecular structure
click picture or here to close

2-{1H-pyrrolo[3,2-b]pyridin-3-yl}ethan-1-amine dihydrochloride

ChemBase ID: 293221
Molecular Formular: C9H13Cl2N3
Molecular Mass: 234.12562
Monoisotopic Mass: 233.04865279
SMILES and InChIs

SMILES:
NCCc1c[nH]c2cccnc12.Cl.Cl
Canonical SMILES:
NCCc1c[nH]c2c1nccc2.Cl.Cl
InChI:
InChI=1S/C9H11N3.2ClH/c10-4-3-7-6-12-8-2-1-5-11-9(7)8;;/h1-2,5-6,12H,3-4,10H2;2*1H
InChIKey:
RAQGXXRFNJEAAN-UHFFFAOYSA-N

Cite this record

CBID:293221 http://www.chembase.cn/molecule-293221.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-{1H-pyrrolo[3,2-b]pyridin-3-yl}ethan-1-amine dihydrochloride
IUPAC Traditional name
2-{1H-pyrrolo[3,2-b]pyridin-3-yl}ethanamine dihydrochloride
Synonyms
2-(1H-Pyrrolo[3,2-b]pyridin-3-yl)ethanamine dihydrochloride
CAS Number
27311-25-7
PubChem SID
180678752
PubChem CID
71607292

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Bide Pharmatech
BD251115 Please log in.
Data Source Data ID
PubChem 71607292 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 15.245186  H Acceptors
H Donor LogD (pH = 5.5) -2.3489888 
LogD (pH = 7.4) -1.5438684  Log P 0.65461534 
Molar Refractivity 47.844 cm3 Polarizability 19.834457 Å3
Polar Surface Area 54.7 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Product Information Bioassay(PubChem)
Purity
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