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108-91-8 molecular structure
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cyclohexanamine

ChemBase ID: 103147
Molecular Formular: C6H13N
Molecular Mass: 99.17412
Monoisotopic Mass: 99.10479942
SMILES and InChIs

SMILES:
NC1CCCCC1
Canonical SMILES:
NC1CCCCC1
InChI:
InChI=1S/C6H13N/c7-6-4-2-1-3-5-6/h6H,1-5,7H2
InChIKey:
PAFZNILMFXTMIY-UHFFFAOYSA-N

Cite this record

CBID:103147 http://www.chembase.cn/molecule-103147.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
cyclohexanamine
IUPAC Traditional name
cyclohexylamine
Synonyms
Cyclohexylamine
Aminocyclohexane
Aminocylcohexane
Aminohexahydrobenzene
Cyclohexanamine
Hexahydroaniline
Hexahydrobenzenamine
CYCLOHEXYLAMINE
氨基环己烷
环己胺
CAS Number
108-91-8
EC Number
203-629-0
MDL Number
MFCD00001486
Beilstein Number
471175
Merck Index
142729
PubChem SID
24854426
162090692
24891956
PubChem CID
7965
CHEBI ID
15773
Chemspider ID
7677
KEGG ID
C00571
Unique Ingredient Identifier
I6GH4W7AEG
Wikipedia Title
Cyclohexylamine

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -1.8541405  LogD (pH = 7.4) -1.5693852 
Log P 1.1738117  Molar Refractivity 30.933 cm3
Polarizability 12.598926 Å3 Polar Surface Area 26.02 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Solubility
Miscible in water expand Show data source
Apperance
clear to yellowish liquid expand Show data source
Melting Point
-17 °C(lit.) expand Show data source
-17.7°C expand Show data source
-18 °C expand Show data source
-18°C expand Show data source
Boiling Point
133-134°C expand Show data source
134 °C at 1013 hPa expand Show data source
134 °C(lit.) expand Show data source
134.5°C expand Show data source
Flash Point
26 °C (closed cup) expand Show data source
27 °C expand Show data source
27°C(81°F) expand Show data source
28.6 °C expand Show data source
80.6 °F expand Show data source
Auto Ignition Point
265 °C expand Show data source
559 °F expand Show data source
Density
.819 g/cm3 at 20 °C expand Show data source
0.8647 g/cc expand Show data source
0.867 g/mL at 25 °C(lit.) expand Show data source
0.868 expand Show data source
Refractive Index
1.4585 expand Show data source
n20/D 1.459 expand Show data source
n20/D 1.459(lit.) expand Show data source
n20/D 1.460 expand Show data source
Vapor Pressure
10 mmHg ( 22 °C) expand Show data source
14 hPa at 20 °C expand Show data source
23 mmHg ( 37.7 °C) expand Show data source
Vapor Density
3.4 (air = 1) expand Show data source
3.42 (vs air) expand Show data source
pKa
10.64 expand Show data source
Storage Condition
Room Temperature (15-30°C) expand Show data source
Storage Warning
Air Sensitive expand Show data source
RTECS
GX0700000 expand Show data source
European Hazard Symbols
Corrosive Corrosive (C) expand Show data source
X expand Show data source
UN Number
2357 expand Show data source
UN2357 expand Show data source
MSDS Link
Download expand Show data source
Download expand Show data source
Download expand Show data source
Download expand Show data source
Download expand Show data source
German water hazard class
3 expand Show data source
Hazard Class
3 expand Show data source
8 expand Show data source
Packing Group
2 expand Show data source
II expand Show data source
Australian Hazchem
2W expand Show data source
Risk Statements
10-21/22-34-62 expand Show data source
R:10-21/22-34 expand Show data source
Safety Statements
1/2-26-36/37/39-45 expand Show data source
26-36/37/39-45 expand Show data source
S:45-36/37/39 expand Show data source
S36 S37 S39 expand Show data source
EU Classification
CF1 expand Show data source
EU Hazard Identification Number
8A expand Show data source
Emergency Response Guidebook(ERG) Number
132 expand Show data source
TSCA Listed
expand Show data source
GHS Pictograms
GHS02 expand Show data source
GHS05 expand Show data source
GHS07 expand Show data source
GHS08 expand Show data source
GHS Signal Word
Danger expand Show data source
NFPA704
NFPA 704 diagram
3
3
0
expand Show data source
GHS Hazard statements
H226-H302-H312-H314-H361f expand Show data source
H314-H226-H361-H302-H312 expand Show data source
GHS Precautionary statements
P210-P241-P303+P361+P353-P305+P351+P338-P405-P501A expand Show data source
P280-P305 + P351 + P338-P310 expand Show data source
Personal Protective Equipment
Faceshields, full-face respirator (US), Gloves, Goggles, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter expand Show data source
RID/ADR
UN 2357 8/PG 2 expand Show data source
Purity
≥99% expand Show data source
≥99.0% (GC) expand Show data source
≥99.5% (GC) expand Show data source
98+% expand Show data source
98-99% expand Show data source
99% expand Show data source
Grade
puriss. expand Show data source
purum expand Show data source
ReagentPlus® expand Show data source
Certificate of Analysis
Download expand Show data source
Impurities
≤2% water expand Show data source
Linear Formula
C6H11NH2 expand Show data source

DETAILS

DETAILS

MP Biomedicals MP Biomedicals Wikipedia Wikipedia Sigma Aldrich Sigma Aldrich
MP Biomedicals - 02150745 external link
Free Base
Purity: 98-99%
1 ml = 0.87 g
Sigma Aldrich - C104655 external link
Packaging
1 L in glass bottle
18 L in steel drum
250 mL in glass bottle
Legal Information
ReagentPlus is a registered trademark of Sigma-Aldrich Co. LLC
Sigma Aldrich - 240648 external link
Packaging
5, 100 mL in glass bottle
Legal Information
ReagentPlus is a registered trademark of Sigma-Aldrich Co. LLC

REFERENCES

REFERENCES

From Suppliers Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
  • • For protection of an aldehyde as its cyclohexyl imine, see, e.g.: Org. Synth. Coll., 8, 586 (1993). Cyclohexyl imines of aldehydes have found use in the directed aldol synthesis: reaction with a less reactive ketone takes place in preference to self-condensation of the aldehyde. See, e.g.: Org. Synth. Coll., 6, 901 (1988):
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PATENTS

PATENTS

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INTERNET

INTERNET

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