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135855-62-8 molecular structure
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1-methyl-1H-indol-6-amine

ChemBase ID: 262281
Molecular Formular: C9H10N2
Molecular Mass: 146.1891
Monoisotopic Mass: 146.08439833
SMILES and InChIs

SMILES:
n1(c2c(cc1)ccc(c2)N)C
Canonical SMILES:
Nc1ccc2c(c1)n(C)cc2
InChI:
InChI=1S/C9H10N2/c1-11-5-4-7-2-3-8(10)6-9(7)11/h2-6H,10H2,1H3
InChIKey:
MTZOSTDWLSSPHA-UHFFFAOYSA-N

Cite this record

CBID:262281 http://www.chembase.cn/molecule-262281.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
1-methyl-1H-indol-6-amine
IUPAC Traditional name
1-methylindol-6-amine
Synonyms
1-methyl-1H-indol-6-amine
CAS Number
135855-62-8
MDL Number
MFCD10000822
PubChem SID
164318191
PubChem CID
10534799

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 10534799 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 1.4572496  LogD (pH = 7.4) 1.4666369 
Log P 1.4667579  Molar Refractivity 46.7416 cm3
Polarizability 18.502829 Å3 Polar Surface Area 30.95 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Product Information Bioassay(PubChem)
Hydrophobicity(logP)
1.596 expand Show data source
Purity
95% expand Show data source
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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