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207284-25-1 molecular structure
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(2R)-2-(propan-2-yl)piperazine

ChemBase ID: 807750
Molecular Formular: C7H16N2
Molecular Mass: 128.21534
Monoisotopic Mass: 128.13134852
SMILES and InChIs

SMILES:
[C@H]1(CNCCN1)C(C)C
Canonical SMILES:
CC([C@H]1NCCNC1)C
InChI:
InChI=1S/C7H16N2/c1-6(2)7-5-8-3-4-9-7/h6-9H,3-5H2,1-2H3/t7-/m0/s1
InChIKey:
HBCSNWKQNPKIHK-ZETCQYMHSA-N

Cite this record

CBID:807750 http://www.chembase.cn/molecule-807750.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
(2R)-2-(propan-2-yl)piperazine
IUPAC Traditional name
(2R)-2-isopropylpiperazine
Synonyms
R-2-ISOPROPYL-PIPERAZINE
CAS Number
207284-25-1

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O25909 external link Add to cart
Data Source Data ID Price
A&J Pharmtech
AJA-O25909 external link Add to cart Please log in.
Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -2.8976362  LogD (pH = 7.4) -1.758618 
Log P 0.57526344  Molar Refractivity 38.8632 cm3
Polarizability 15.965017 Å3 Polar Surface Area 24.06 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Product Information Bioassay(PubChem)
Purity
98% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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