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1188244-51-0 molecular structure
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6-chloro-N-methyl-2,3-dihydro-1H-inden-1-amine

ChemBase ID: 815644
Molecular Formular: C10H12ClN
Molecular Mass: 181.66198
Monoisotopic Mass: 181.06582707
SMILES and InChIs

SMILES:
C1C(c2cc(ccc2C1)Cl)NC
Canonical SMILES:
CNC1CCc2c1cc(Cl)cc2
InChI:
InChI=1S/C10H12ClN/c1-12-10-5-3-7-2-4-8(11)6-9(7)10/h2,4,6,10,12H,3,5H2,1H3
InChIKey:
MDCGEWCRGNLLKV-UHFFFAOYSA-N

Cite this record

CBID:815644 http://www.chembase.cn/molecule-815644.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
6-chloro-N-methyl-2,3-dihydro-1H-inden-1-amine
IUPAC Traditional name
6-chloro-N-methyl-2,3-dihydro-1H-inden-1-amine
Synonyms
6-chloro-N-methyl-2,3-dihydro-1H-inden-1-amine
CAS Number
1188244-51-0

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O38003 external link Add to cart
Data Source Data ID Price
A&J Pharmtech
AJA-O38003 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) -0.5091864  LogD (pH = 7.4) 0.48878002 
Log P 2.6798635  Molar Refractivity 51.6916 cm3
Polarizability 20.268333 Å3 Polar Surface Area 12.03 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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