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73536-83-1 molecular structure
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5-chloro-2,3-dihydro-1H-inden-2-amine

ChemBase ID: 814354
Molecular Formular: C9H10ClN
Molecular Mass: 167.6354
Monoisotopic Mass: 167.05017701
SMILES and InChIs

SMILES:
C1(Cc2ccc(cc2C1)Cl)N
Canonical SMILES:
NC1Cc2c(C1)cc(cc2)Cl
InChI:
InChI=1S/C9H10ClN/c10-8-2-1-6-4-9(11)5-7(6)3-8/h1-3,9H,4-5,11H2
InChIKey:
KBMVAIAEDLKXCX-UHFFFAOYSA-N

Cite this record

CBID:814354 http://www.chembase.cn/molecule-814354.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
5-chloro-2,3-dihydro-1H-inden-2-amine
IUPAC Traditional name
5-chloro-2,3-dihydro-1H-inden-2-amine
Synonyms
5-chloro-2,3-dihydro-1H-inden-2-amine
CAS Number
73536-83-1

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O36514 external link Add to cart
Data Source Data ID Price
A&J Pharmtech
AJA-O36514 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) -0.9248848  LogD (pH = 7.4) -0.32529807 
Log P 2.0913758  Molar Refractivity 47.071 cm3
Polarizability 18.349594 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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