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58055-93-9 molecular structure
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2-(chloromethyl)-1-methylpyrrolidine

ChemBase ID: 309468
Molecular Formular: C6H12ClN
Molecular Mass: 133.61918
Monoisotopic Mass: 133.06582707
SMILES and InChIs

SMILES:
N1(C(CCl)CCC1)C
Canonical SMILES:
ClCC1CCCN1C
InChI:
InChI=1S/C6H12ClN/c1-8-4-2-3-6(8)5-7/h6H,2-5H2,1H3
InChIKey:
ZXEQVHDPCGPJSJ-UHFFFAOYSA-N

Cite this record

CBID:309468 http://www.chembase.cn/molecule-309468.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-(chloromethyl)-1-methylpyrrolidine
IUPAC Traditional name
2-(chloromethyl)-1-methylpyrrolidine
Synonyms
2-(chloromethyl)-1-methylpyrrolidine
CAS Number
58055-93-9
MDL Number
MFCD18347654

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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Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -1.6146054  LogD (pH = 7.4) 0.122181796 
Log P 1.3202238  Molar Refractivity 36.5426 cm3
Polarizability 14.396708 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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