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907973-35-7 molecular structure
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4,6-dichloro-2,3-dihydro-1H-inden-1-amine

ChemBase ID: 808616
Molecular Formular: C9H9Cl2N
Molecular Mass: 202.08046
Monoisotopic Mass: 201.01120465
SMILES and InChIs

SMILES:
C1C(c2cc(cc(c2C1)Cl)Cl)N
Canonical SMILES:
Clc1cc(Cl)c2c(c1)C(N)CC2
InChI:
InChI=1S/C9H9Cl2N/c10-5-3-7-6(8(11)4-5)1-2-9(7)12/h3-4,9H,1-2,12H2
InChIKey:
CWQMXJLBEVRHSZ-UHFFFAOYSA-N

Cite this record

CBID:808616 http://www.chembase.cn/molecule-808616.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
4,6-dichloro-2,3-dihydro-1H-inden-1-amine
IUPAC Traditional name
4,6-dichloro-2,3-dihydro-1H-inden-1-amine
Synonyms
4,6-DICHLORO-2,3-DIHYDRO-1H-INDEN-1-AMINE
CAS Number
907973-35-7

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O26799 external link Add to cart
Data Source Data ID Price
A&J Pharmtech
AJA-O26799 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) -0.13918123  LogD (pH = 7.4) 0.77854896 
Log P 2.851328  Molar Refractivity 51.7218 cm3
Polarizability 20.308578 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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