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503417-39-8 molecular structure
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1-(naphthalen-1-yl)cyclopropan-1-amine

ChemBase ID: 799072
Molecular Formular: C13H13N
Molecular Mass: 183.24902
Monoisotopic Mass: 183.10479942
SMILES and InChIs

SMILES:
C1(CC1)(N)c1c2ccccc2ccc1
Canonical SMILES:
NC1(CC1)c1cccc2c1cccc2
InChI:
InChI=1S/C13H13N/c14-13(8-9-13)12-7-3-5-10-4-1-2-6-11(10)12/h1-7H,8-9,14H2
InChIKey:
ZBHKDZNJLCDLEC-UHFFFAOYSA-N

Cite this record

CBID:799072 http://www.chembase.cn/molecule-799072.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
1-(naphthalen-1-yl)cyclopropan-1-amine
IUPAC Traditional name
1-(naphthalen-1-yl)cyclopropan-1-amine
Synonyms
1-(naphthalen-1-yl)cyclopropanamine
CAS Number
503417-39-8

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O13260 external link Add to cart
Data Source Data ID Price
A&J Pharmtech
AJA-O13260 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) -0.53003967  LogD (pH = 7.4) 0.20325188 
Log P 2.4778242  Molar Refractivity 58.0824 cm3
Polarizability 24.33009 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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