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168902-79-2 molecular structure
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5-methyl-2,3-dihydro-1H-inden-1-amine

ChemBase ID: 808581
Molecular Formular: C10H13N
Molecular Mass: 147.21692
Monoisotopic Mass: 147.10479942
SMILES and InChIs

SMILES:
C1C(c2ccc(cc2C1)C)N
Canonical SMILES:
Cc1ccc2c(c1)CCC2N
InChI:
InChI=1S/C10H13N/c1-7-2-4-9-8(6-7)3-5-10(9)11/h2,4,6,10H,3,5,11H2,1H3
InChIKey:
GPCQIJHZALEOMP-UHFFFAOYSA-N

Cite this record

CBID:808581 http://www.chembase.cn/molecule-808581.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
5-methyl-2,3-dihydro-1H-inden-1-amine
IUPAC Traditional name
5-methyl-2,3-dihydro-1H-inden-1-amine
Synonyms
2,3-DIHYDRO-5-METHYL-1H-INDEN-1-AMINE
CAS Number
168902-79-2

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O26762 external link Add to cart
Data Source Data ID Price
A&J Pharmtech
AJA-O26762 external link Add to cart Please log in.
Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -0.85300034  LogD (pH = 7.4) -0.144824 
Log P 2.1566598  Molar Refractivity 47.1534 cm3
Polarizability 18.37911 Å3 Polar Surface Area 26.02 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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