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878671-94-4 molecular structure
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4-cyclopropylnaphthalen-1-amine

ChemBase ID: 800396
Molecular Formular: C13H13N
Molecular Mass: 183.24902
Monoisotopic Mass: 183.10479942
SMILES and InChIs

SMILES:
c1cc2c(cc1)c(ccc2N)C1CC1
Canonical SMILES:
Nc1ccc(c2c1cccc2)C1CC1
InChI:
InChI=1S/C13H13N/c14-13-8-7-10(9-5-6-9)11-3-1-2-4-12(11)13/h1-4,7-9H,5-6,14H2
InChIKey:
NYKSBMRQNSCVMO-UHFFFAOYSA-N

Cite this record

CBID:800396 http://www.chembase.cn/molecule-800396.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
4-cyclopropylnaphthalen-1-amine
IUPAC Traditional name
4-cyclopropylnaphthalen-1-amine
Synonyms
4-cyclopropylnaphthalen-1-amine
CAS Number
878671-94-4

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O15912 external link Add to cart
Data Source Data ID Price
A&J Pharmtech
AJA-O15912 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) 2.886624  LogD (pH = 7.4) 2.9147096 
Log P 2.9150798  Molar Refractivity 59.5972 cm3
Polarizability 23.824125 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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