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41049-53-0 molecular structure
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1-phenylcyclopropan-1-amine

ChemBase ID: 293471
Molecular Formular: C9H11N
Molecular Mass: 133.19034
Monoisotopic Mass: 133.08914936
SMILES and InChIs

SMILES:
NC1(c2ccccc2)CC1
Canonical SMILES:
NC1(CC1)c1ccccc1
InChI:
InChI=1S/C9H11N/c10-9(6-7-9)8-4-2-1-3-5-8/h1-5H,6-7,10H2
InChIKey:
OYRBDGKUVUVWRI-UHFFFAOYSA-N

Cite this record

CBID:293471 http://www.chembase.cn/molecule-293471.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
1-phenylcyclopropan-1-amine
IUPAC Traditional name
1-phenylcyclopropan-1-amine
Synonyms
(1-phenylcyclopropyl)amine
1-Phenyl-cyclopropylamine
CAS Number
41049-53-0
MDL Number
MFCD05863520
PubChem SID
180679002
PubChem CID
194549

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 194549 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -1.508987  LogD (pH = 7.4) -0.6538166 
Log P 1.4883475  Molar Refractivity 41.6322 cm3
Polarizability 16.696098 Å3 Polar Surface Area 26.02 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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