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21109-25-1 molecular structure
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(1H-indol-2-yl)methanamine hydrochloride

ChemBase ID: 806651
Molecular Formular: C9H11ClN2
Molecular Mass: 182.65004
Monoisotopic Mass: 182.06107604
SMILES and InChIs

SMILES:
Cl.NCc1cc2ccccc2[nH]1
Canonical SMILES:
NCc1cc2c([nH]1)cccc2.Cl
InChI:
InChI=1S/C9H10N2.ClH/c10-6-8-5-7-3-1-2-4-9(7)11-8;/h1-5,11H,6,10H2;1H
InChIKey:
OOENXMOJCVOPPC-UHFFFAOYSA-N

Cite this record

CBID:806651 http://www.chembase.cn/molecule-806651.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
(1H-indol-2-yl)methanamine hydrochloride
IUPAC Traditional name
1H-indol-2-ylmethanamine hydrochloride
Synonyms
C-(1H-INDOL-2-YL)-METHYLAMINE HYDROCHLORIDE
CAS Number
21109-25-1

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O24425 external link Add to cart
Data Source Data ID Price
A&J Pharmtech
AJA-O24425 external link Add to cart Please log in.
Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 15.670902  H Acceptors
H Donor LogD (pH = 5.5) -1.7858034 
LogD (pH = 7.4) -0.4693597  Log P 1.1177773 
Molar Refractivity 45.4954 cm3 Polarizability 19.009245 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

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PATENTS

PATENTS

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INTERNET

INTERNET

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