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604799-95-3 molecular structure
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1-(3-methoxyphenyl)cyclopropan-1-amine

ChemBase ID: 237846
Molecular Formular: C10H13NO
Molecular Mass: 163.21632
Monoisotopic Mass: 163.09971404
SMILES and InChIs

SMILES:
C1(CC1)(c1cc(OC)ccc1)N
Canonical SMILES:
COc1cccc(c1)C1(N)CC1
InChI:
InChI=1S/C10H13NO/c1-12-9-4-2-3-8(7-9)10(11)5-6-10/h2-4,7H,5-6,11H2,1H3
InChIKey:
QOUFBHVWPGAWAG-UHFFFAOYSA-N

Cite this record

CBID:237846 http://www.chembase.cn/molecule-237846.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
1-(3-methoxyphenyl)cyclopropan-1-amine
IUPAC Traditional name
1-(3-methoxyphenyl)cyclopropan-1-amine
Synonyms
1-(3-methoxyphenyl)cyclopropan-1-amine
1-(3-METHOXYPHENYL)CYCLOPROPANAMINE
CAS Number
604799-95-3
MDL Number
MFCD07374479
PubChem SID
164293756
PubChem CID
11008251

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 11008251 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -1.6598698  LogD (pH = 7.4) -0.7424527 
Log P 1.3306762  Molar Refractivity 48.0954 cm3
Polarizability 19.173988 Å3 Polar Surface Area 35.25 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Product Information Bioassay(PubChem)
Hydrophobicity(logP)
1.357 expand Show data source
Purity
95% expand Show data source
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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