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5459-93-8 molecular structure
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N-ethylcyclohexanamine

ChemBase ID: 69840
Molecular Formular: C8H17N
Molecular Mass: 127.22728
Monoisotopic Mass: 127.13609955
SMILES and InChIs

SMILES:
N(C1CCCCC1)CC
Canonical SMILES:
CCNC1CCCCC1
InChI:
InChI=1S/C8H17N/c1-2-9-8-6-4-3-5-7-8/h8-9H,2-7H2,1H3
InChIKey:
AGVKXDPPPSLISR-UHFFFAOYSA-N

Cite this record

CBID:69840 http://www.chembase.cn/molecule-69840.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
N-ethylcyclohexanamine
IUPAC Traditional name
cyclohexanamine, N-ethyl-
Synonyms
N-Cyclohexylethylamine
N-Ethylcyclohexylamine
N-Ethylcyclohexylamine
N-环己基乙胺
N-乙基环己胺
CAS Number
5459-93-8
EC Number
226-733-8
MDL Number
MFCD00003834
Beilstein Number
2070280
PubChem SID
24897388
24845454
162035565
24857205
PubChem CID
21609

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -1.2748971  LogD (pH = 7.4) -1.0431077 
Log P 1.9632  Molar Refractivity 40.4562 cm3
Polarizability 16.292534 Å3 Polar Surface Area 12.03 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Boiling Point
163-166°C expand Show data source
165 °C(lit.) expand Show data source
165°C expand Show data source
Flash Point
113 °F expand Show data source
45 °C expand Show data source
45°C(113°F) expand Show data source
Auto Ignition Point
473 °F expand Show data source
Density
0.844 g/ml expand Show data source
0.844 g/mL at 25 °C(lit.) expand Show data source
0.850 expand Show data source
Refractive Index
1.4520 expand Show data source
n20/D 1.452 expand Show data source
n20/D 1.452(lit.) expand Show data source
Vapor Pressure
2 mmHg ( 20 °C) expand Show data source
Vapor Density
4.4 (vs air) expand Show data source
Storage Warning
IRRITANT expand Show data source
RTECS
GX1225000 expand Show data source
European Hazard Symbols
Corrosive Corrosive (C) expand Show data source
Flammable Flammable (F) expand Show data source
X expand Show data source
Harmful Harmful (Xn) expand Show data source
UN Number
2734 expand Show data source
UN2734 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
8 expand Show data source
Packing Group
2 expand Show data source
II expand Show data source
Risk Statements
10-20/21/22-34 expand Show data source
10-20/21/22-35 expand Show data source
R:10-22-27 expand Show data source
Safety Statements
26-36/37/39-45 expand Show data source
S:16-36/37/39 expand Show data source
TSCA Listed
false expand Show data source
expand Show data source
GHS Pictograms
GHS02 expand Show data source
GHS05 expand Show data source
GHS06 expand Show data source
GHS Signal Word
Danger expand Show data source
Explode Limits
7.6 % expand Show data source
GHS Hazard statements
H226-H302-H311-H314-H332 expand Show data source
H301-H311-H332-H314-H318-H226 expand Show data source
GHS Precautionary statements
P210-P301+P310-P303+P361+P353-P305+P351+P338-P361-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 2734 8/PG 2 expand Show data source
Purity
≥98.0% (GC) expand Show data source
95+% expand Show data source
97% expand Show data source
98% expand Show data source
Grade
analytical standard expand Show data source
purum expand Show data source
Certificate of Analysis
Download expand Show data source
Packaging
ampule of 1000 mg expand Show data source
Linear Formula
C6H11NHC2H5 expand Show data source

DETAILS

DETAILS

MP Biomedicals MP Biomedicals Sigma Aldrich Sigma Aldrich
MP Biomedicals - 05203204 external link
MP Biomedicals Rare Chemical collection
Sigma Aldrich - 289612 external link
Packaging
25, 500 mL in glass bottle

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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