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1177281-73-0 molecular structure
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2-butyl-2,5-dihydro-1H-pyrrole

ChemBase ID: 308585
Molecular Formular: C8H15N
Molecular Mass: 125.2114
Monoisotopic Mass: 125.12044949
SMILES and InChIs

SMILES:
N1C(C=CC1)CCCC
Canonical SMILES:
CCCCC1NCC=C1
InChI:
InChI=1S/C8H15N/c1-2-3-5-8-6-4-7-9-8/h4,6,8-9H,2-3,5,7H2,1H3
InChIKey:
NFNHZXVXPGOQMF-UHFFFAOYSA-N

Cite this record

CBID:308585 http://www.chembase.cn/molecule-308585.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-butyl-2,5-dihydro-1H-pyrrole
IUPAC Traditional name
2-butyl-2,5-dihydro-1H-pyrrole
Synonyms
2-butyl-2,5-dihydro-1H-pyrrole
CAS Number
1177281-73-0
MDL Number
MFCD11053997

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) -1.2476828  LogD (pH = 7.4) -1.0457332 
Log P 1.991047  Molar Refractivity 41.1878 cm3
Polarizability 16.06087 Å3 Polar Surface Area 12.03 Å2

PROPERTIES

PROPERTIES

Bioassay(PubChem)

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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