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155206-39-6 molecular structure
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1-methyl-octahydropyrrolo[1,2-a]piperazine

ChemBase ID: 310361
Molecular Formular: C8H16N2
Molecular Mass: 140.22604
Monoisotopic Mass: 140.13134852
SMILES and InChIs

SMILES:
N12C(C(NCC1)C)CCC2
Canonical SMILES:
CC1NCCN2C1CCC2
InChI:
InChI=1S/C8H16N2/c1-7-8-3-2-5-10(8)6-4-9-7/h7-9H,2-6H2,1H3
InChIKey:
JTFHNFCIQLHQAY-UHFFFAOYSA-N

Cite this record

CBID:310361 http://www.chembase.cn/molecule-310361.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
1-methyl-octahydropyrrolo[1,2-a]piperazine
IUPAC Traditional name
1-methyl-octahydropyrrolo[1,2-a]piperazine
Synonyms
1-methyloctahydropyrrolo[1,2-a]pyrazine
CAS Number
155206-39-6
MDL Number
MFCD00457590

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) -2.969386  LogD (pH = 7.4) -2.6389518 
Log P 0.53638065  Molar Refractivity 42.3735 cm3
Polarizability 17.072641 Å3 Polar Surface Area 15.27 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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