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396133-32-7 molecular structure
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1,2,2-trimethylpiperazine

ChemBase ID: 308123
Molecular Formular: C7H16N2
Molecular Mass: 128.21534
Monoisotopic Mass: 128.13134852
SMILES and InChIs

SMILES:
N1(C(CNCC1)(C)C)C
Canonical SMILES:
CN1CCNCC1(C)C
InChI:
InChI=1S/C7H16N2/c1-7(2)6-8-4-5-9(7)3/h8H,4-6H2,1-3H3
InChIKey:
RFAPOGMFZTYBEW-UHFFFAOYSA-N

Cite this record

CBID:308123 http://www.chembase.cn/molecule-308123.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
1,2,2-trimethylpiperazine
IUPAC Traditional name
1,2,2-trimethylpiperazine
Synonyms
1,2,2-trimethylpiperazine
CAS Number
396133-32-7
MDL Number
MFCD09971266

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) -3.3232193  LogD (pH = 7.4) -2.0819802 
Log P 0.3513928  Molar Refractivity 39.8005 cm3
Polarizability 15.965017 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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