Home > Compound List > Compound details
15406-98-1 molecular structure
click picture or here to close

N-(N-cyclohexylcarboximidoyl)cyclohexanamine; pentachlorophenol

ChemBase ID: 130673
Molecular Formular: C19H23Cl5N2O
Molecular Mass: 472.66372
Monoisotopic Mass: 470.02530177
SMILES and InChIs

SMILES:
C1CCC(CC1)N=C=NC1CCCCC1.c1(c(c(c(c(c1Cl)Cl)Cl)Cl)Cl)O
Canonical SMILES:
C1CCC(CC1)N=C=NC1CCCCC1.Clc1c(O)c(Cl)c(c(c1Cl)Cl)Cl
InChI:
InChI=1S/C13H22N2.C6HCl5O/c1-3-7-12(8-4-1)14-11-15-13-9-5-2-6-10-13;7-1-2(8)4(10)6(12)5(11)3(1)9/h12-13H,1-10H2;12H
InChIKey:
RPHVCMWXLCBLKF-UHFFFAOYSA-N

Cite this record

CBID:130673 http://www.chembase.cn/molecule-130673.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
N-(N-cyclohexylcarboximidoyl)cyclohexanamine; pentachlorophenol
IUPAC Traditional name
dicyclohexylcarbodiimide; permite
Synonyms
N,N′-Dicyclohexylcarbodiimide–Pentachlorophenol complex
Kovacs 络合物
N,N'-二环己基碳二亚胺五氯化苯酚络合物
CAS Number
15406-98-1
MDL Number
MFCD00058388
PubChem SID
162224951
PubChem CID
44134792

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Sigma Aldrich
D4882 external link Add to cart Please log in.
Data Source Data ID
PubChem 44134792 external link

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

Safety Information Product Information Bioassay(PubChem)
European Hazard Symbols
Nature polluting Nature polluting (N) expand Show data source
Highly toxic Highly toxic (T+) expand Show data source
UN Number
2928 expand Show data source
German water hazard class
3 expand Show data source
Hazard Class
6.1 expand Show data source
Packing Group
2 expand Show data source
Risk Statements
24/25-26-37/38-40-41-43-50/53 expand Show data source
Safety Statements
26-36/37/39-45-52-60-61 expand Show data source
GHS Pictograms
GHS05 expand Show data source
GHS06 expand Show data source
GHS08 expand Show data source
GHS09 expand Show data source
GHS Signal Word
Danger expand Show data source
GHS Hazard statements
H301-H311-H315-H317-H318-H330-H335-H351-H400 expand Show data source
GHS Precautionary statements
P260-P273-P280-P284-P301 + P310-P305 + P351 + P338 expand Show data source
Personal Protective Equipment
Eyeshields, Faceshields, full-face particle respirator type N100 (US), Gloves, respirator cartridge type N100 (US), type P1 (EN143) respirator filter, type P3 (EN 143) respirator cartridges expand Show data source
RID/ADR
UN 2928 6.1/PG 2 expand Show data source
Grade
for HPLC derivatization expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - D4882 external link
Application
用于制备氨基酸五氯苯酯。

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