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1226950-67-9 molecular structure
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(2R)-1-benzyl-2-(chloromethyl)pyrrolidine

ChemBase ID: 309302
Molecular Formular: C12H16ClN
Molecular Mass: 209.71514
Monoisotopic Mass: 209.0971272
SMILES and InChIs

SMILES:
N1(Cc2ccccc2)[C@@H](CCl)CCC1
Canonical SMILES:
ClC[C@H]1CCCN1Cc1ccccc1
InChI:
InChI=1S/C12H16ClN/c13-9-12-7-4-8-14(12)10-11-5-2-1-3-6-11/h1-3,5-6,12H,4,7-10H2/t12-/m1/s1
InChIKey:
QDLRSEZDDYKFTJ-GFCCVEGCSA-N

Cite this record

CBID:309302 http://www.chembase.cn/molecule-309302.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
(2R)-1-benzyl-2-(chloromethyl)pyrrolidine
IUPAC Traditional name
(2R)-1-benzyl-2-(chloromethyl)pyrrolidine
Synonyms
(2R)-1-benzyl-2-(chloromethyl)pyrrolidine
CAS Number
1226950-67-9
MDL Number
MFCD17078861

DATA SOURCES

DATA SOURCES

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Data Source Data ID
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Data Source Data ID Price
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CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 0.12900792  LogD (pH = 7.4) 1.8709233 
Log P 3.044697  Molar Refractivity 61.1552 cm3
Polarizability 23.992916 Å3 Polar Surface Area 3.24 Å2

PROPERTIES

PROPERTIES

Bioassay(PubChem)

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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