Home > Compound List > Compound details
27776-21-2 molecular structure
click picture or here to close

2-(2-{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: 795818
Molecular Formular: C12H24Cl2N6
Molecular Mass: 323.26516
Monoisotopic Mass: 322.14395016
SMILES and InChIs

SMILES:
Cl.Cl.N(=NC(C)(C)C1=NCCN1)C(C)(C)C1=NCCN1
Canonical SMILES:
CC(C1=NCCN1)(N=NC(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
InChIKey:
LBSPZZSGTIBOFG-UHFFFAOYSA-N

Cite this record

CBID:795818 http://www.chembase.cn/molecule-795818.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-(2-{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-{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

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O722 external link Add to cart
Data Source Data ID Price
A&J Pharmtech
AJA-O722 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) -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
98% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

From Suppliers Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
    No data available
  • Searching...Please wait...

PATENTS

PATENTS

PubChem iconPubChem Patent Google Patent Search IconGoogle Patent

INTERNET

INTERNET

Baidu iconBaidu google iconGoogle