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38944-14-8 molecular structure
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2-(4-chlorophenyl)pyrrolidine

ChemBase ID: 18863
Molecular Formular: C10H12ClN
Molecular Mass: 181.66198
Monoisotopic Mass: 181.06582707
SMILES and InChIs

SMILES:
N1C(c2ccc(cc2)Cl)CCC1
Canonical SMILES:
Clc1ccc(cc1)C1CCCN1
InChI:
InChI=1S/C10H12ClN/c11-9-5-3-8(4-6-9)10-2-1-7-12-10/h3-6,10,12H,1-2,7H2
InChIKey:
CIHHGGKKRPPWSU-UHFFFAOYSA-N

Cite this record

CBID:18863 http://www.chembase.cn/molecule-18863.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-(4-chlorophenyl)pyrrolidine
IUPAC Traditional name
2-(4-chlorophenyl)pyrrolidine
Synonyms
2-(4-Chloro-phenyl)-pyrrolidine
4-(Pyrrolidin-2-yl)chlorobenzene
2-(4-Chlorophenyl)pyrrolidine
CAS Number
38944-14-8
MDL Number
MFCD01631838
PubChem SID
160982170
PubChem CID
592391

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
LogD (pH = 5.5) -0.6337762  LogD (pH = 7.4) -0.27957392 
Log P 2.601204  Molar Refractivity 51.322 cm3
Polarizability 20.349665 Å3 Polar Surface Area 12.03 Å2
Rotatable Bonds Lipinski's Rule of Five true 
H Acceptors H Donor

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Hydrophobicity(logP)
2.647 expand Show data source
Storage Warning
Corrosive/Harmful/Irritant 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
97% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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