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27776-21-2 molecular structure
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2-{2-[(E)-2-[2-(4,5-dihydro-1H-imidazol-2-yl)propan-2-yl]diazen-1-yl]propan-2-yl}-4,5-dihydro-1H-imidazole dihydrochloride

ChemBase ID: 294104
Molecular Formular: C12H24Cl2N6
Molecular Mass: 323.26516
Monoisotopic Mass: 322.14395016
SMILES and InChIs

SMILES:
CC(/N=N/C(C)(C1=NCCN1)C)(C1=NCCN1)C.Cl.Cl
Canonical SMILES:
CC(C1=NCCN1)(/N=N/C(C1=NCCN1)(C)C)C.Cl.Cl
InChI:
InChI=1S/C12H22N6.2ClH/c1-11(2,9-13-5-6-14-9)17-18-12(3,4)10-15-7-8-16-10;;/h5-8H2,1-4H3,(H,13,14)(H,15,16);2*1H/b18-17+;;
InChIKey:
LBSPZZSGTIBOFG-QIKYXUGXSA-N

Cite this record

CBID:294104 http://www.chembase.cn/molecule-294104.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-{2-[(E)-2-[2-(4,5-dihydro-1H-imidazol-2-yl)propan-2-yl]diazen-1-yl]propan-2-yl}-4,5-dihydro-1H-imidazole dihydrochloride
IUPAC Traditional name
2-{2-[(E)-2-[2-(4,5-dihydro-1H-imidazol-2-yl)propan-2-yl]diazen-1-yl]propan-2-yl}-4,5-dihydro-1H-imidazole dihydrochloride
Synonyms
1,2-Bis(2-(4,5-dihydro-1H-imidazol-2-yl)propan-2-yl)diazene dihydrochloride
CAS Number
27776-21-2
MDL Number
MFCD00142723
PubChem SID
180679635
PubChem CID
9949101

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Bide Pharmatech
BD64242 Please log in.
Data Source Data ID
PubChem 9949101 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -3.6308522  LogD (pH = 7.4) -0.58351004 
Log P 0.33976248  Molar Refractivity 70.7844 cm3
Polarizability 26.810495 Å3 Polar Surface Area 73.5 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

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

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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