Home > Compound List > Compound details
1018637-87-0 molecular structure
click picture or here to close

2-(6-bromo-1H-indol-3-yl)ethan-1-amine

ChemBase ID: 806684
Molecular Formular: C10H11BrN2
Molecular Mass: 239.11174
Monoisotopic Mass: 238.01056036
SMILES and InChIs

SMILES:
C(Cc1c[nH]c2c1ccc(c2)Br)N
Canonical SMILES:
NCCc1c[nH]c2c1ccc(c2)Br
InChI:
InChI=1S/C10H11BrN2/c11-8-1-2-9-7(3-4-12)6-13-10(9)5-8/h1-2,5-6,13H,3-4,12H2
InChIKey:
JMJWBINWUCHDRO-UHFFFAOYSA-N

Cite this record

CBID:806684 http://www.chembase.cn/molecule-806684.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-(6-bromo-1H-indol-3-yl)ethan-1-amine
IUPAC Traditional name
2-(6-bromo-1H-indol-3-yl)ethanamine
Synonyms
2-(6-BROMO-1H-INDOL-3-YL)ETHANAMINE
CAS Number
1018637-87-0

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O24501 external link Add to cart
Data Source Data ID Price
A&J Pharmtech
AJA-O24501 external link Add to cart Please log in.
Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 16.897385  H Acceptors
H Donor LogD (pH = 5.5) -0.7513892 
LogD (pH = 7.4) -0.0010562732  Log P 2.2551901 
Molar Refractivity 57.9957 cm3 Polarizability 23.325397 Å3
Polar Surface Area 41.81 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

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