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2338-18-3 molecular structure
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2,3-dihydro-1H-inden-2-aminium chloride

ChemBase ID: 302377
Molecular Formular: C9H12ClN
Molecular Mass: 169.65128
Monoisotopic Mass: 169.06582707
SMILES and InChIs

SMILES:
c1ccc2c(c1)CC(C2)[NH3+].[Cl-]
Canonical SMILES:
[NH3+]C1Cc2c(C1)cccc2.[Cl-]
InChI:
InChI=1S/C9H11N.ClH/c10-9-5-7-3-1-2-4-8(7)6-9;/h1-4,9H,5-6,10H2;1H
InChIKey:
XEHNLVMHWYPNEQ-UHFFFAOYSA-N

Cite this record

CBID:302377 http://www.chembase.cn/molecule-302377.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2,3-dihydro-1H-inden-2-aminium chloride
IUPAC Traditional name
2,3-dihydro-1H-inden-2-aminium chloride
Synonyms
2-Indanamine hydrochloride
2-Aminoindane hydrochloride
2-氨基茚满 盐酸盐
CAS Number
2338-18-3
EC Number
219-048-0
MDL Number
MFCD00012549
Beilstein Number
3913700

DATA SOURCES

DATA SOURCES

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Data Source Data ID
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CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -1.530259  LogD (pH = 7.4) -0.9565448 
Log P 1.487331  Molar Refractivity 53.559 cm3
Polarizability 16.452394 Å3 Polar Surface Area 27.64 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
243-248°C expand Show data source
RTECS
NK4050000 expand Show data source
European Hazard Symbols
X expand Show data source
Risk Statements
22 expand Show data source
Safety Statements
36 expand Show data source
TSCA Listed
expand Show data source
GHS Pictograms
GHS07 expand Show data source
GHS Hazard statements
H302 expand Show data source
GHS Precautionary statements
P280F expand Show data source
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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