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36875-25-9 molecular structure
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1,7-dimethyl heptanedicarboximidate

ChemBase ID: 127080
Molecular Formular: C9H18N2O2
Molecular Mass: 186.25142
Monoisotopic Mass: 186.13682783
SMILES and InChIs

SMILES:
COC(=N)CCCCCC(=N)OC
Canonical SMILES:
COC(=N)CCCCCC(=N)OC
InChI:
InChI=1S/C9H18N2O2/c1-12-8(10)6-4-3-5-7-9(11)13-2/h10-11H,3-7H2,1-2H3
InChIKey:
LRPQMNYCTSPGCX-UHFFFAOYSA-N

Cite this record

CBID:127080 http://www.chembase.cn/molecule-127080.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
1,7-dimethyl heptanedicarboximidate
IUPAC Traditional name
dimethyl pimelimidate
Synonyms
Pimelimidic acid dimethyl ester dihydrochloride
dimethyl heptane-1,7-diimidate dihydrochloride
Dimethyl pimelimidate
CAS Number
36875-25-9
PubChem SID
162221403
PubChem CID
65403
Chemspider ID
16742681
Wikipedia Title
Dimethyl_pimelimidate

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -1.97194  LogD (pH = 7.4) 0.88480526 
Log P 1.1862009  Molar Refractivity 72.36 cm3
Polarizability 20.154074 Å3 Polar Surface Area 66.16 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Bioassay(PubChem)
Solubility
Slightly soluble (dihydrochloride) in water expand Show data source
Apperance
White crystalline powder (dihydrochloride) expand Show data source
Melting Point
122°C (dihydrochloride) expand Show data source
Flash Point
Not determined expand Show data source
NFPA704
NFPA 704 diagram
1
1
0
expand Show data source

DETAILS

DETAILS

Wikipedia Wikipedia

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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