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72934-40-8 molecular structure
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1-(4-methoxyphenyl)cyclopropan-1-amine

ChemBase ID: 293504
Molecular Formular: C10H13NO
Molecular Mass: 163.21632
Monoisotopic Mass: 163.09971404
SMILES and InChIs

SMILES:
NC1(c2ccc(OC)cc2)CC1
Canonical SMILES:
COc1ccc(cc1)C1(N)CC1
InChI:
InChI=1S/C10H13NO/c1-12-9-4-2-8(3-5-9)10(11)6-7-10/h2-5H,6-7,11H2,1H3
InChIKey:
ANCAJMAPVNINSB-UHFFFAOYSA-N

Cite this record

CBID:293504 http://www.chembase.cn/molecule-293504.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
1-(4-methoxyphenyl)cyclopropan-1-amine
IUPAC Traditional name
1-(4-methoxyphenyl)cyclopropan-1-amine
Synonyms
1-(4-METHOXY-PHENYL)-CYCLOPROPYLAMINE
1-(4-Methoxyphenyl)cyclopropanamine
CAS Number
72934-40-8
PubChem SID
180679035
PubChem CID
12523671

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 12523671 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -1.6658766  LogD (pH = 7.4) -0.8030066 
Log P 1.3306762  Molar Refractivity 48.0954 cm3
Polarizability 19.17395 Å3 Polar Surface Area 35.25 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Product Information Bioassay(PubChem)
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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