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292063-44-6 molecular structure
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(2R)-2-tert-butylpiperazine

ChemBase ID: 812670
Molecular Formular: C8H18N2
Molecular Mass: 142.24192
Monoisotopic Mass: 142.14699859
SMILES and InChIs

SMILES:
[C@H]1(CNCCN1)C(C)(C)C
Canonical SMILES:
CC([C@H]1NCCNC1)(C)C
InChI:
InChI=1S/C8H18N2/c1-8(2,3)7-6-9-4-5-10-7/h7,9-10H,4-6H2,1-3H3/t7-/m0/s1
InChIKey:
ZXJUSCSGOOZJMN-ZETCQYMHSA-N

Cite this record

CBID:812670 http://www.chembase.cn/molecule-812670.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
(2R)-2-tert-butylpiperazine
IUPAC Traditional name
(2R)-2-tert-butylpiperazine
Synonyms
R-2-TERT-BUTYL PIPERAZINE
CAS Number
292063-44-6

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O33121 external link Add to cart
Data Source Data ID Price
A&J Pharmtech
AJA-O33121 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) -2.5047576  LogD (pH = 7.4) -1.327428 
Log P 0.95326424  Molar Refractivity 43.2613 cm3
Polarizability 17.811394 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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