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174854-93-4 molecular structure
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1H-indol-4-amine hydrochloride

ChemBase ID: 160206
Molecular Formular: C8H9ClN2
Molecular Mass: 168.62346
Monoisotopic Mass: 168.04542598
SMILES and InChIs

SMILES:
c1(cccc2c1cc[nH]2)N.Cl
Canonical SMILES:
Nc1cccc2c1cc[nH]2.Cl
InChI:
InChI=1S/C8H8N2.ClH/c9-7-2-1-3-8-6(7)4-5-10-8;/h1-5,10H,9H2;1H
InChIKey:
RRDMEBTXVSZFJA-UHFFFAOYSA-N

Cite this record

CBID:160206 http://www.chembase.cn/molecule-160206.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
1H-indol-4-amine hydrochloride
IUPAC Traditional name
1H-indol-4-amine hydrochloride
Synonyms
1H-Indol-4-amine Monohydrochloride
4-Aminoindole Hydrochloride
CAS Number
174854-93-4
PubChem SID
162254341
PubChem CID
22461572

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
TRC A611709 external link Add to cart
PubChem 22461572 external link
Data Source Data ID Price
TRC
A611709 external link Add to cart Please log in.
Data Source Data ID
PubChem 22461572 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 17.743036  H Acceptors
H Donor LogD (pH = 5.5) 1.2385107 
LogD (pH = 7.4) 1.243024  Log P 1.2430818 
Molar Refractivity 41.8449 cm3 Polarizability 16.746494 Å3
Polar Surface Area 41.81 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Solubility
Water expand Show data source
Apperance
Grey Solid expand Show data source
MSDS Link
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Certificate of Analysis
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DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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