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143797-94-8 molecular structure
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1,2,3-trimethyl-1H-indol-5-amine

ChemBase ID: 18544
Molecular Formular: C11H14N2
Molecular Mass: 174.24226
Monoisotopic Mass: 174.11569846
SMILES and InChIs

SMILES:
n1(c(c(c2c1ccc(c2)N)C)C)C
Canonical SMILES:
Nc1ccc2c(c1)c(C)c(n2C)C
InChI:
InChI=1S/C11H14N2/c1-7-8(2)13(3)11-5-4-9(12)6-10(7)11/h4-6H,12H2,1-3H3
InChIKey:
QDLZBJGHQYCOQO-UHFFFAOYSA-N

Cite this record

CBID:18544 http://www.chembase.cn/molecule-18544.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
1,2,3-trimethyl-1H-indol-5-amine
IUPAC Traditional name
1,2,3-trimethylindol-5-amine
Synonyms
1,2,3-Trimethyl-1H-indol-5-ylamine
CAS Number
143797-94-8
MDL Number
MFCD08144760
PubChem SID
160981851
PubChem CID
6495993

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Matrix Scientific
020688 external link Add to cart Please log in.
Data Source Data ID
PubChem 6495993 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 2.171386  LogD (pH = 7.4) 2.1796343 
Log P 2.1797407  Molar Refractivity 56.9325 cm3
Polarizability 22.029675 Å3 Polar Surface Area 30.95 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Safety Information Bioassay(PubChem)
Storage Warning
IRRITANT expand Show data source
MSDS Link
Download expand Show data source
TSCA Listed
false expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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