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61798-24-1 molecular structure
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1-N,2-N-dimethylcyclohexane-1,2-diamine

ChemBase ID: 68161
Molecular Formular: C8H18N2
Molecular Mass: 142.24192
Monoisotopic Mass: 142.14699859
SMILES and InChIs

SMILES:
C1(C(CCCC1)NC)NC
Canonical SMILES:
CNC1CCCCC1NC
InChI:
InChI=1S/C8H18N2/c1-9-7-5-3-4-6-8(7)10-2/h7-10H,3-6H2,1-2H3
InChIKey:
JRHPOFJADXHYBR-UHFFFAOYSA-N

Cite this record

CBID:68161 http://www.chembase.cn/molecule-68161.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
1-N,2-N-dimethylcyclohexane-1,2-diamine
IUPAC Traditional name
1-N,2-N-dimethylcyclohexane-1,2-diamine
Synonyms
N,N'-Dimethylcyclohexane-1,2-diamine
1-N,2-N-dimethylcyclohexane-1,2-diamine
N1,N2-Dimethylcyclohexane-1,2-diamine
CAS Number
61798-24-1
68173-05-7
MDL Number
MFCD05664382
PubChem SID
162033893
PubChem CID
551074

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 551074 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -4.1429214  LogD (pH = 7.4) -2.0264766 
Log P 0.85718703  Molar Refractivity 43.5012 cm3
Polarizability 17.811394 Å3 Polar Surface Area 24.06 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Hydrophobicity(logP)
0.79 expand Show data source
Storage Warning
IRRITANT expand Show data source
MSDS Link
Download expand Show data source
TSCA Listed
false expand Show data source
Purity
95% expand Show data source
95+% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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