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1049750-09-5 molecular structure
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2-[1-(cyclopropylmethyl)piperazin-2-yl]ethan-1-ol

ChemBase ID: 307548
Molecular Formular: C10H20N2O
Molecular Mass: 184.2786
Monoisotopic Mass: 184.15756327
SMILES and InChIs

SMILES:
N1(CC2CC2)C(CCO)CNCC1
Canonical SMILES:
OCCC1CNCCN1CC1CC1
InChI:
InChI=1S/C10H20N2O/c13-6-3-10-7-11-4-5-12(10)8-9-1-2-9/h9-11,13H,1-8H2
InChIKey:
NXHYTVUPOMUDNV-UHFFFAOYSA-N

Cite this record

CBID:307548 http://www.chembase.cn/molecule-307548.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-[1-(cyclopropylmethyl)piperazin-2-yl]ethan-1-ol
IUPAC Traditional name
2-[1-(cyclopropylmethyl)piperazin-2-yl]ethanol
Synonyms
2-[1-(cyclopropylmethyl)piperazin-2-yl]ethanol
CAS Number
1049750-09-5
MDL Number
MFCD08691608

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) -3.5141137  LogD (pH = 7.4) -2.4307392 
Log P -0.13555682  Molar Refractivity 53.5134 cm3
Polarizability 21.362965 Å3 Polar Surface Area 35.5 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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