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58414-76-9 molecular structure
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1-(1-chloropropan-2-yl)pyrrolidine

ChemBase ID: 308636
Molecular Formular: C7H14ClN
Molecular Mass: 147.64576
Monoisotopic Mass: 147.08147713
SMILES and InChIs

SMILES:
N1(C(CCl)C)CCCC1
Canonical SMILES:
ClCC(N1CCCC1)C
InChI:
InChI=1S/C7H14ClN/c1-7(6-8)9-4-2-3-5-9/h7H,2-6H2,1H3
InChIKey:
YZSFPUQIKOUVRQ-UHFFFAOYSA-N

Cite this record

CBID:308636 http://www.chembase.cn/molecule-308636.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
1-(1-chloropropan-2-yl)pyrrolidine
IUPAC Traditional name
1-(1-chloropropan-2-yl)pyrrolidine
Synonyms
1-(2-chloro-1-methylethyl)pyrrolidine
CAS Number
58414-76-9
MDL Number
MFCD11505308

DATA SOURCES

DATA SOURCES

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Data Source Data ID
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Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -1.4413961  LogD (pH = 7.4) 0.21551666 
Log P 1.6770318  Molar Refractivity 41.2912 cm3
Polarizability 16.235744 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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