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609-72-3 molecular structure
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N,N,2-trimethylaniline

ChemBase ID: 151207
Molecular Formular: C9H13N
Molecular Mass: 135.20622
Monoisotopic Mass: 135.10479942
SMILES and InChIs

SMILES:
Cc1ccccc1N(C)C
Canonical SMILES:
CN(c1ccccc1C)C
InChI:
InChI=1S/C9H13N/c1-8-6-4-5-7-9(8)10(2)3/h4-7H,1-3H3
InChIKey:
JDEJGVSZUIJWBM-UHFFFAOYSA-N

Cite this record

CBID:151207 http://www.chembase.cn/molecule-151207.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
N,N,2-trimethylaniline
IUPAC Traditional name
N,N-dimethyl-O-toluidine
Synonyms
N,N-Dimethyl-o-toluidine
N,N-二甲基邻甲苯胺
CAS Number
609-72-3
EC Number
210-199-8
MDL Number
MFCD00035789
PubChem SID
162245364
24865677
PubChem CID
11869

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Sigma Aldrich
409928 external link Add to cart Please log in.
Data Source Data ID
PubChem 11869 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 2.4232097  LogD (pH = 7.4) 2.5920706 
Log P 2.594711  Molar Refractivity 45.5278 cm3
Polarizability 16.955837 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)
Boiling Point
76 °C/18 mmHg(lit.) expand Show data source
Flash Point
145.4 °F expand Show data source
63 °C expand Show data source
Density
0.929 g/mL at 25 °C(lit.) expand Show data source
Refractive Index
n20/D 1.525(lit.) expand Show data source
RTECS
XU5800000 expand Show data source
European Hazard Symbols
Toxic Toxic (T) expand Show data source
UN Number
2810 expand Show data source
MSDS Link
Download expand Show data source
German water hazard class
1 expand Show data source
Hazard Class
6.1 expand Show data source
Packing Group
2 expand Show data source
Risk Statements
23/24/25-33-52/53 expand Show data source
Safety Statements
28-36/37-45-61 expand Show data source
GHS Pictograms
GHS06 expand Show data source
GHS08 expand Show data source
GHS Signal Word
Danger expand Show data source
GHS Hazard statements
H301-H311-H331-H373-H412 expand Show data source
GHS Precautionary statements
P261-P273-P280-P301 + P310-P311 expand Show data source
Personal Protective Equipment
Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter expand Show data source
RID/ADR
UN 2810 6.1/PG 2 expand Show data source
Purity
99% expand Show data source
Linear Formula
CH3C6H4N(CH3)2 expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 409928 external link
Packaging
250 mL in glass bottle

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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