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98-94-2 molecular structure
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N,N-dimethylcyclohexanamine

ChemBase ID: 107328
Molecular Formular: C8H17N
Molecular Mass: 127.22728
Monoisotopic Mass: 127.13609955
SMILES and InChIs

SMILES:
CN(C)C1CCCCC1
Canonical SMILES:
CN(C1CCCCC1)C
InChI:
InChI=1S/C8H17N/c1-9(2)8-6-4-3-5-7-8/h8H,3-7H2,1-2H3
InChIKey:
SVYKKECYCPFKGB-UHFFFAOYSA-N

Cite this record

CBID:107328 http://www.chembase.cn/molecule-107328.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
N,N-dimethylcyclohexanamine
IUPAC Traditional name
dimethylcyclohexylamine
Synonyms
N,N-DIMETHYLCYCLOHEXYLAMINE
Cyclohexyldimethylamine
Dimethylaminocyclohexane
N,N-Dimethylcyclohexylamine
N,N-Dimethylcyclohexanamine
U - Benz[a]anthracene solution
二甲氨基环己烷
环己基二甲胺
N,N-二甲基环己胺
苯并[A]蒽 溶液
苯并[a]蒽 溶液
CAS Number
98-94-2
56-55-3
EC Number
202-715-5
MDL Number
MFCD00003844
Beilstein Number
1919922
PubChem SID
162094549
24864943
24857479
PubChem CID
7415

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -1.4863254  LogD (pH = 7.4) -0.7469409 
Log P 1.98944  Molar Refractivity 41.0023 cm3
Polarizability 16.292534 Å3 Polar Surface Area 3.24 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
-60°C expand Show data source
-60°C expand Show data source
Boiling Point
158-159 °C(lit.) expand Show data source
160-161°C expand Show data source
162°C expand Show data source
Flash Point
102.2 °F expand Show data source
39 °C expand Show data source
39°C(102°F) expand Show data source
Auto Ignition Point
419 °F expand Show data source
Density
0.849 expand Show data source
0.849 g/mL at 25 °C(lit.) expand Show data source
0.85 g/ml expand Show data source
Refractive Index
1.4540 expand Show data source
n20/D 1.454 expand Show data source
n20/D 1.454(lit.) expand Show data source
Vapor Pressure
3.6 mmHg ( 20 °C) expand Show data source
Storage Warning
Air Sensitive expand Show data source
RTECS
GX1198000 expand Show data source
European Hazard Symbols
Corrosive Corrosive (C) expand Show data source
Flammable Flammable (F) expand Show data source
Nature polluting Nature polluting (N) expand Show data source
Toxic Toxic (T) expand Show data source
Harmful Harmful (Xn) expand Show data source
UN Number
2264 expand Show data source
UN2264 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
German water hazard class
1 expand Show data source
Hazard Class
8 expand Show data source
Packing Group
2 expand Show data source
II expand Show data source
Risk Statements
10-20/21/22-34-50/53 expand Show data source
10-22-23/24-34-50/53 expand Show data source
R:10-22 expand Show data source
Safety Statements
23-26-27-36/37/39-45-57 expand Show data source
26-28-36/37/39-45-61 expand Show data source
S:9-16-36/37/39 expand Show data source
TSCA Listed
expand Show data source
GHS Pictograms
GHS02 expand Show data source
GHS05 expand Show data source
GHS06 expand Show data source
GHS09 expand Show data source
GHS Signal Word
Danger expand Show data source
GHS Hazard statements
H226-H302-H311-H314-H330-H400 expand Show data source
H310-H330-H302-H314-H318-H226-H400-H410 expand Show data source
GHS Precautionary statements
P210-P303+P361+P353-P304+P340-P305+P351+P338-P320-P330-P361-P405-P501A expand Show data source
P260-P273-P280-P284-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 2264 8/PG 2 expand Show data source
Purity
≥98.0% expand Show data source
≥99.0% (GC) expand Show data source
95+% expand Show data source
98+% expand Show data source
99% expand Show data source
Grade
purum expand Show data source
SAJ special grade expand Show data source
Certificate of Analysis
Download expand Show data source
Linear Formula
C6H11N(CH3)2 expand Show data source

DETAILS

DETAILS

MP Biomedicals MP Biomedicals Sigma Aldrich Sigma Aldrich
MP Biomedicals - 05203343 external link
MP Biomedicals Rare Chemical collection
Sigma Aldrich - 290629 external link
Packaging
1 L in glass bottle
25 mL in glass bottle

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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