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85155-83-5 molecular structure
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(4-methylpiperazin-2-yl)methanol

ChemBase ID: 309100
Molecular Formular: C6H14N2O
Molecular Mass: 130.18816
Monoisotopic Mass: 130.11061308
SMILES and InChIs

SMILES:
N1(CC(NCC1)CO)C
Canonical SMILES:
CN1CC(CO)NCC1
InChI:
InChI=1S/C6H14N2O/c1-8-3-2-7-6(4-8)5-9/h6-7,9H,2-5H2,1H3
InChIKey:
JVIKJOXETSHPGJ-UHFFFAOYSA-N

Cite this record

CBID:309100 http://www.chembase.cn/molecule-309100.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
(4-methylpiperazin-2-yl)methanol
IUPAC Traditional name
(4-methylpiperazin-2-yl)methanol
Synonyms
(4-methyl-2-piperazinyl)methanol
CAS Number
85155-83-5
MDL Number
MFCD15474963

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) -4.0882053  LogD (pH = 7.4) -2.561321 
Log P -0.9760938  Molar Refractivity 36.706 cm3
Polarizability 14.724356 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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