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MFCD22383947 molecular structure
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1-(2,3-dihydro-1H-inden-2-yl)-2-methylpropan-2-amine hydrochloride

ChemBase ID: 71406
Molecular Formular: C13H20ClN
Molecular Mass: 225.7576
Monoisotopic Mass: 225.12842733
SMILES and InChIs

SMILES:
Cl.c1ccc2c(c1)CC(C2)CC(N)(C)C
Canonical SMILES:
CC(CC1Cc2c(C1)cccc2)(N)C.Cl
InChI:
InChI=1S/C13H19N.ClH/c1-13(2,14)9-10-7-11-5-3-4-6-12(11)8-10;/h3-6,10H,7-9,14H2,1-2H3;1H
InChIKey:
WBROBVXHCOSKDW-UHFFFAOYSA-N

Cite this record

CBID:71406 http://www.chembase.cn/molecule-71406.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
1-(2,3-dihydro-1H-inden-2-yl)-2-methylpropan-2-amine hydrochloride
IUPAC Traditional name
1-(2,3-dihydro-1H-inden-2-yl)-2-methylpropan-2-amine hydrochloride
Synonyms
1-(2,3-Dihydro-1H-inden-2-yl)-2-methylpropan-2-amine hydrochloride
MDL Number
MFCD22383947
PubChem SID
162036996
PubChem CID
71299226

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 71299226 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -0.16376178  LogD (pH = 7.4) 0.03586571 
Log P 2.8661103  Molar Refractivity 60.732 cm3
Polarizability 23.924145 Å3 Polar Surface Area 26.02 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Safety Information Product Information Bioassay(PubChem)
Storage Warning
IRRITANT expand Show data source
MSDS Link
Download expand Show data source
Purity
95% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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