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Molecule
ID:85597
Structure
Similarity
Functional Group
Text
General Information
Structure
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Molecular Formula
C₉H₁₃N
Molecular Mass
135.20622
Exact Mass
135.10479942
Charge
0
InChI
InChI=1S/C9H13N/c1-6-4-7(2)9(10)8(3)5-6/h4-5H,10H2,1-3H3
InChIKey
KWVPRPSXBZNOHS-UHFFFAOYSA-N
Canonic Smiles
Cc1cc(C)c(c(c1)C)N
Isomeric Smiles
Nc1c(cc(cc1C)C)C
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
2.628139
LogD (pH = 7.4)
2.6838253
Log P
2.6845841
Molar Refractivity
45.882
Polarizability
16.793894
Polar Surface Area
26.02
Rotatable Bonds
0
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
No Data Available
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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IUPAC Traditional name
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MP Biomedicals
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From Data Sources
Bioactivity
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PubChem BioAssay
Data Source
Commercial Catalog
MP Biomedicals
02157070
05213142
Apollo Scientific
OR28597
Sigma Aldrich
132179
92290
Chemik
CHB79078
Bide Pharmatech
BD66322
Alfa Aesar
A13049
Academic Data
Wikipedia
2,4,6-Trimethylaniline
PubChem
6913
Names and Identifiers
Synonyms
Mesidine
AMINOMESITYLENE
2,4,6-Trimethylaniline
Mesitylamine
2,4,6-Trimethylbenzenamine
2,4,6-Trimethylaniline
均三甲苯胺
2,4,6-三甲基苯胺
AMINOMESITYLENE
2,4,6-TRIMETHYLANILINE
2-Aminomesitylene
IUPAC Traditional name
2,4,6-trimethylaniline
IUPAC name
2,4,6-trimethylaniline
Registration numbers
PubChem CID
6913
PubChem SID
162072713
24847550
24889635
CAS Number
88-05-1
EC Number
201-794-3
MDL Number
MFCD00007740
Beilstein Number
636559
KEGG ID
C19540
Wikipedia Title
2,4,6-Trimethylaniline
Chemspider ID
6647
Molecule Details
MP Biomedicals
02157070
1 ml = Approx. 0.96 g
05213142
MP Biomedicals Rare Chemical collection
Wikipedia
2,4,6-Trimethylaniline
Sigma Aldrich
132179
Packaging
25, 100 mL in glass bottle
References
PubChem Literature
No Data Available
Click here to submit data
Bioactivity
PubChem BioAssay
Registration numbers
•
PubChem CID
•
PubChem SID
•
CAS Number
•
EC Number
•
MDL Number
•
Beilstein Number
•
KEGG ID
•
Wikipedia Title
•
Chemspider ID
Properties
Physical Property
Boiling Point
233°C
Source
108-110 °C/11 mmHg(lit.)
Source
233 °C(lit.)
Source
232-234°C
Source
Density
0.95 g/ml
Source
0.963 g/mL
Source
0.963 g/mL at 25 °C(lit.)
Source
0.962
Source
Flash Point
96 °C
Source
204.8 °F
Source
96°C(204°F)
Source
Refractive Index
n20/D 1.551(lit.)
Source
n20/D 1.551
Source
1.5510
Source
Apperance
clear brown liquid (clear)
Source
Transition Temperature
solidification point -5--2 °C
Source
Melting Point
-5°C
Source
Safety Information
Storage Warning
Toxic
Source
Risk Statements
R:
22
-
36
Source
21/22
-
26
-
36/38
Source
21/22
-
23
-
36/37/38
Source
MSDS Link
Download link
Source
Download link
Source
Download link
Source
Download link
Source
Storage Condition
Room Temperature (15-30°C)
Source
Safety Statements
S:
26
-
36/37/39
Source
26
-
28
-
36/37
-
45
Source
European Hazard Symbols
Harmful (Xn)
Source
Highly toxic (T+)
Toxic (T)
RTECS
BZ0700000
Source
German water hazard class
3
Source
GHS Precautionary statements
P260
-
P280
-
P284
-
P305+P351+P338
-
P310
Source
P261
-
P305+P351+P338
-
P302+P352
-
P321
-
P405
-P501A
Source
Packing Group
2
Source
III
Source
UN Number
2810
Source
UN2810
Source
GHS Pictograms
Acute toxicity (oral, dermal, inhalation), categories 1,2,3
Source
Personal Protective Equipment
Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
Source
GHS Signal Word
Danger
Source
RID/ADR
UN 2810 6.1/PG 2
Source
GHS Hazard statements
H302
-
H312
-
H315
-
H319
-
H330
Source
H331
-
H302
-
H312
-
H315
-
H319
-
H335
Source
Hazard Class
6.1
Source
TSCA Listed
是
Source
Product Information
Certificate of Analysis
Download link
Source
Download link
Source
Linear Formula
(CH3)3C6H2NH2
Source
Purity
98%
Source
≥98.0% (GC)
Source
Grade
purum
Source
Source
Source
Harmful (Xn)
Highly toxic (T+)
Toxic (T)