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7480-35-5 molecular structure
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1-amino-2,3-dihydro-1H-inden-2-ol

ChemBase ID: 83272
Molecular Formular: C9H11NO
Molecular Mass: 149.18974
Monoisotopic Mass: 149.08406398
SMILES and InChIs

SMILES:
NC1C(Cc2ccccc12)O
Canonical SMILES:
NC1C(O)Cc2c1cccc2
InChI:
InChI=1S/C9H11NO/c10-9-7-4-2-1-3-6(7)5-8(9)11/h1-4,8-9,11H,5,10H2
InChIKey:
LOPKSXMQWBYUOI-UHFFFAOYSA-N

Cite this record

CBID:83272 http://www.chembase.cn/molecule-83272.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
1-amino-2,3-dihydro-1H-inden-2-ol
IUPAC Traditional name
1-amino-2,3-dihydro-1H-inden-2-ol
Synonyms
1-Aminoindan-2-ol
1-Amino-2-hydroxyindane
1-aminoindan-2-ol
CAS Number
7480-35-5
74165-73-4
MDL Number
MFCD00053472
PubChem SID
162070391
PubChem CID
139034

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 139034 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 14.380486  H Acceptors
H Donor LogD (pH = 5.5) -2.3743553 
LogD (pH = 7.4) -1.1841465  Log P 0.5683349 
Molar Refractivity 43.4737 cm3 Polarizability 17.190062 Å3
Polar Surface Area 46.25 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
118 - 121°C expand Show data source
Hydrophobicity(logP)
0.348 expand Show data source
Storage Warning
Irritant 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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