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162254343 molecular structure
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(1R)-2,3-dihydro(1,2,2-2H3)-1H-inden-1-amine hydrochloride

ChemBase ID: 160208
Molecular Formular: C9H12ClN
Molecular Mass: 169.65128
Monoisotopic Mass: 169.06582707
SMILES and InChIs

SMILES:
Cl.c1ccc2c(c1)CC[C@H]2N
Canonical SMILES:
N[C@@H]1CCc2c1cccc2.Cl
InChI:
InChI=1S/C9H11N.ClH/c10-9-6-5-7-3-1-2-4-8(7)9;/h1-4,9H,5-6,10H2;1H/t9-;/m1./s1
InChIKey:
RHAAGWRBIVCBSY-SBSPUUFOSA-N

Cite this record

CBID:160208 http://www.chembase.cn/molecule-160208.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
(1R)-2,3-dihydro(1,2,2-2H3)-1H-inden-1-amine hydrochloride
IUPAC Traditional name
(1R)-(1,2,2-2H3)-3H-inden-1-amine hydrochloride
Synonyms
(1R)-2,3-Dihydro-1H-inden-1-amine-d3
(R)-(-)-1-Indanamine-d3
(R)-1-Aminoindan-d3
(R)-1-Indanylamine-d3
(R)-2,3-Dihydro-1-Indenamine-d3
(R)-2,3-Dihydro-1H-inden-1-amine-d3
R-(-)-1-Aminoindane-d3
TV 136-d3
[(1R)-2,3-Dihydro-1H-inden-1-yl]amine-d3
(R)-1-Aminoindane-d3 Hydrochloride
PubChem SID
162254343
PubChem CID
71313280

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
TRC A611717 external link Add to cart
PubChem 71313280 external link
Data Source Data ID Price
TRC
A611717 external link Add to cart Please log in.
Data Source Data ID
PubChem 71313280 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -1.3644532  LogD (pH = 7.4) -0.62883526 
Log P 1.6432385  Molar Refractivity 42.1122 cm3
Polarizability 16.615744 Å3 Polar Surface Area 26.02 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Safety Information Product Information Bioassay(PubChem)
MSDS Link
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Certificate of Analysis
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DETAILS

DETAILS

TRC TRC
Toronto Research Chemicals - A611717 external link
A labelled intermediate of N-[1-(R)-Indanyl]adenosine as drug.

REFERENCES

REFERENCES

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  • • Desolms, S., et al.: J. Med. Chem., 46, 2973 (2003)
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PATENTS

PATENTS

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INTERNET

INTERNET

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