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903557-29-9 molecular structure
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(1S)-5-bromo-2,3-dihydro-1H-inden-1-amine

ChemBase ID: 811260
Molecular Formular: C9H10BrN
Molecular Mass: 212.0864
Monoisotopic Mass: 210.99966133
SMILES and InChIs

SMILES:
N[C@H]1CCc2cc(ccc12)Br
Canonical SMILES:
Brc1ccc2c(c1)CC[C@@H]2N
InChI:
InChI=1S/C9H10BrN/c10-7-2-3-8-6(5-7)1-4-9(8)11/h2-3,5,9H,1,4,11H2/t9-/m0/s1
InChIKey:
IEUKCNPRRGOGDG-VIFPVBQESA-N

Cite this record

CBID:811260 http://www.chembase.cn/molecule-811260.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
(1S)-5-bromo-2,3-dihydro-1H-inden-1-amine
IUPAC Traditional name
(1S)-5-bromo-2,3-dihydro-1H-inden-1-amine
Synonyms
(1S)-5-BROMOINDANYLAMINE
CAS Number
903557-29-9

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O30444 external link Add to cart
Data Source Data ID Price
A&J Pharmtech
AJA-O30444 external link Add to cart Please log in.
Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -0.5929476  LogD (pH = 7.4) 0.17813845 
Log P 2.4119911  Molar Refractivity 49.735 cm3
Polarizability 19.294127 Å3 Polar Surface Area 26.02 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Product Information Bioassay(PubChem)
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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