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140632-20-8 molecular structure
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rel-(1R,2S)-1-amino-2,3-dihydro-1H-inden-2-ol

ChemBase ID: 796925
Molecular Formular: C9H11NO
Molecular Mass: 149.18974
Monoisotopic Mass: 149.08406398
SMILES and InChIs

SMILES:
[C@@H]1([C@H](c2ccccc2C1)N)O
Canonical SMILES:
N[C@@H]1[C@H](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/t8-,9+/m1/s1
InChIKey:
LOPKSXMQWBYUOI-BDAKNGLRSA-N

Cite this record

CBID:796925 http://www.chembase.cn/molecule-796925.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
rel-(1R,2S)-1-amino-2,3-dihydro-1H-inden-2-ol
IUPAC Traditional name
rel-(1R,2S)-1-amino-2,3-dihydro-1H-inden-2-ol
Synonyms
cis-1-AMino-2,3-dihydro-1H-inden-2-ol
CAS Number
140632-20-8

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O4976 external link Add to cart
Data Source Data ID Price
A&J Pharmtech
AJA-O4976 external link Add to cart Please log in.
Data Source Data ID

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

Product Information Bioassay(PubChem)
Purity
97% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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