Home > Compound List > Compound details
538-75-0 molecular structure
click picture or here to close

N-(N-cyclohexylcarboximidoyl)cyclohexanamine

ChemBase ID: 90417
Molecular Formular: C13H22N2
Molecular Mass: 206.32718
Monoisotopic Mass: 206.17829871
SMILES and InChIs

SMILES:
N(=C=NC1CCCCC1)C1CCCCC1
Canonical SMILES:
C1CCC(CC1)N=C=NC1CCCCC1
InChI:
InChI=1S/C13H22N2/c1-3-7-12(8-4-1)14-11-15-13-9-5-2-6-10-13/h12-13H,1-10H2
InChIKey:
QOSSAOTZNIDXMA-UHFFFAOYSA-N

Cite this record

CBID:90417 http://www.chembase.cn/molecule-90417.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
N-(N-cyclohexylcarboximidoyl)cyclohexanamine
IUPAC Traditional name
dicyclohexylcarbodiimide
Synonyms
DCC
N,N'-Dicyclohexylcarbodiimide
CAS Number
538-75-0
MDL Number
MFCD00011659
PubChem SID
162077227
PubChem CID
10868
CHEBI ID
53090
CHEMBL
162598
Chemspider ID
10408
Wikipedia Title
N,N'-Dicyclohexylcarbodiimide

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Apollo Scientific
OR60045 external link Add to cart Please log in.

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 3.7913857  LogD (pH = 7.4) 3.792248 
Log P 3.7922592  Molar Refractivity 62.3204 cm3
Polarizability 24.36774 Å3 Polar Surface Area 24.72 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Bioassay(PubChem)
Solubility
not soluble in water expand Show data source
Apperance
white crystalline powder expand Show data source
Melting Point
33-36°C expand Show data source
34°C expand Show data source
Boiling Point
122°C (395 K at 6 mmHg) expand Show data source
154-156°C/11mm expand Show data source
Flash Point
>110°C expand Show data source
113 °C expand Show data source
Density
1.325 g/cm3, solid expand Show data source
Storage Warning
Toxic/Harmful/Corrosive/Moisture Sensitive/Store under Argon expand Show data source
RTECS
FF2160000 expand Show data source
Risk Statements
R22 R24 R41 R43 expand Show data source
Safety Statements
S24 S26 S37/39 S45 expand Show data source
NFPA704
NFPA 704 diagram
1
3
expand Show data source

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