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503417-29-6 molecular structure
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1-(2-methylphenyl)cyclopropan-1-amine

ChemBase ID: 308688
Molecular Formular: C10H13N
Molecular Mass: 147.21692
Monoisotopic Mass: 147.10479942
SMILES and InChIs

SMILES:
C1(CC1)(c1c(C)cccc1)N
Canonical SMILES:
Cc1ccccc1C1(N)CC1
InChI:
InChI=1S/C10H13N/c1-8-4-2-3-5-9(8)10(11)6-7-10/h2-5H,6-7,11H2,1H3
InChIKey:
FDPOMQRUQMOUTC-UHFFFAOYSA-N

Cite this record

CBID:308688 http://www.chembase.cn/molecule-308688.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
1-(2-methylphenyl)cyclopropan-1-amine
IUPAC Traditional name
1-(2-methylphenyl)cyclopropan-1-amine
Synonyms
1-o-tolylcyclopropanamine
1-(2-methylphenyl)cyclopropanamine
CAS Number
503417-29-6
MDL Number
MFCD07374471

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -0.9963459  LogD (pH = 7.4) -0.14901924 
Log P 2.0017688  Molar Refractivity 46.6734 cm3
Polarizability 18.461542 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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