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1006-64-0 molecular structure
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2-phenylpyrrolidine

ChemBase ID: 19371
Molecular Formular: C10H13N
Molecular Mass: 147.21692
Monoisotopic Mass: 147.10479942
SMILES and InChIs

SMILES:
N1C(c2ccccc2)CCC1
Canonical SMILES:
C1CNC(C1)c1ccccc1
InChI:
InChI=1S/C10H13N/c1-2-5-9(6-3-1)10-7-4-8-11-10/h1-3,5-6,10-11H,4,7-8H2
InChIKey:
JUTDHSGANMHVIC-UHFFFAOYSA-N

Cite this record

CBID:19371 http://www.chembase.cn/molecule-19371.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-phenylpyrrolidine
IUPAC Traditional name
pyrrolidine, 2-phenyl-
Synonyms
2-Phenylpyrrolidine
CAS Number
1006-64-0
MDL Number
MFCD01631835
PubChem SID
160982678
PubChem CID
261892

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -1.2399172  LogD (pH = 7.4) -0.96401614 
Log P 1.9971591  Molar Refractivity 46.5172 cm3
Polarizability 18.54361 Å3 Polar Surface Area 12.03 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Hydrophobicity(logP)
1.934 expand Show data source
Storage Warning
Harmful expand Show data source
IRRITANT expand Show data source
MSDS Link
Download expand Show data source
TSCA Listed
false expand Show data source
Purity
95% expand Show data source
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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