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75180-45-9 molecular structure
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[1-(4-methoxyphenyl)cyclopropyl]methanamine

ChemBase ID: 76965
Molecular Formular: C11H15NO
Molecular Mass: 177.2429
Monoisotopic Mass: 177.11536411
SMILES and InChIs

SMILES:
NCC1(c2ccc(cc2)OC)CC1
Canonical SMILES:
NCC1(CC1)c1ccc(cc1)OC
InChI:
InChI=1S/C11H15NO/c1-13-10-4-2-9(3-5-10)11(8-12)6-7-11/h2-5H,6-8,12H2,1H3
InChIKey:
MHMAVRWOZLLFQF-UHFFFAOYSA-N

Cite this record

CBID:76965 http://www.chembase.cn/molecule-76965.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
[1-(4-methoxyphenyl)cyclopropyl]methanamine
IUPAC Traditional name
[1-(4-methoxyphenyl)cyclopropyl]methanamine
Synonyms
[1-(4-Methoxyphenyl)cyclopropyl]methylamine
[1-(4-methoxyphenyl)cyclopropyl]methanamine
CAS Number
75180-45-9
MDL Number
MFCD06213249
PubChem SID
162041864
PubChem CID
15611179

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 15611179 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -1.4793315  LogD (pH = 7.4) -0.545654 
Log P 1.509252  Molar Refractivity 52.8171 cm3
Polarizability 20.941626 Å3 Polar Surface Area 35.25 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Hydrophobicity(logP)
1.786 expand Show data source
Storage Warning
Irritant 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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