Molfinder
Home
Support
About Us
Data Source
Statistics
Blogs
Molecule
ID:88751
Structure
Similarity
Functional Group
Text
General Information
Structure
Loading...
Molecular Formula
C₆H₈N₂
Molecular Mass
108.14112
Exact Mass
108.06874827
Charge
0
InChI
InChI=1S/C6H8N2/c1-7-6-2-4-8-5-3-6/h2-5H,1H3,(H,7,8)
InChIKey
LSCYTCMNCWMCQE-UHFFFAOYSA-N
Canonic Smiles
CNc1ccncc1
Isomeric Smiles
n1ccc(cc1)NC
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-0.75531954
LogD (pH = 7.4)
-0.64655733
Log P
0.22835152
Molar Refractivity
34.0949
Polarizability
12.407253
Polar Surface Area
24.92
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Loading...
Names and Identifiers
Loading...
Registration numbers
Loading...
Properties
Loading...
Related Proteins
No Data Available
Click here to submit data
Molecular Spectra
No Data Available
Click here to submit data
Molecule Details
Loading...
References
Loading...
Bioactivity
Loading...
Quote
Download
Navigation
General Information
Calculated Properties
•
RDKit
•
JChem
Data Source
•
Commercial Catalog
•
Academic Data
Names and Identifiers
•
Synonyms
•
IUPAC Traditional name
•
IUPAC name
Registration numbers
Properties
•
Physical Property
•
Safety Information
•
Product Information
Related Proteins
Molecular Spectra
Molecule Details
•
Sigma Aldrich
References
•
PubChem Literature
•
From Data Sources
Bioactivity
•
PubChem BioAssay
Data Source
Commercial Catalog
Apollo Scientific
OR42108
Sigma Aldrich
635170
195510
Alfa Aesar
L19626
Academic Data
PubChem
123098
Names and Identifiers
Synonyms
4-(Methylamino)pyridine
N-Methylpyridin-4-amine
4-甲基氨基吡啶
4-甲氨基吡啶
4-(Methylamino)pyridine
JandaJel™-4-methylaminopyridine
JandaJel™-4-甲基氨基吡啶
IUPAC Traditional name
N-methylpyridin-4-amine
IUPAC name
N-methylpyridin-4-amine
Registration numbers
PubChem SID
24882719
162075660
24851695
MDL Number
MFCD00152625
Beilstein Number
108213
CAS Number
1121-58-0
PubChem CID
123098
Properties
Physical Property
Melting Point
124-126°C
Source
124-125 °C(lit.)
Source
124-128°C
Source
Boiling Point
100 °C/0.1 mmHg(lit.)
Source
Safety Information
Storage Warning
Toxic/Harmful
Source
German water hazard class
3
Source
MSDS Link
Download link
Source
Download link
Source
Personal Protective Equipment
Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter
Source
dust mask type N95 (US), Eyeshields, Gloves
Source
GHS Precautionary statements
P261
-
P305+P351+P338
Source
P261
-
P305+P351+P338
-
P302+P352
-
P321
-
P405
-P501A
Source
GHS Hazard statements
H315
-
H319
-
H335
Source
Risk Statements
36/37/38
Source
Safety Statements
26
-
36
Source
26
-
37
-
60
Source
European Hazard Symbols
Irritant (Xi)
Source
GHS Pictograms
Acute toxicity (oral, dermal, inhalation), category 4
Skin irritation, category 2
Eye irritation, category 2
Skin sensitisation, category 1
Specific Target Organ Toxicity – Single exposure, category 3
Source
GHS Signal Word
Warning
Source
TSCA Listed
否
Source
Product Information
Extent of Labeling
1.5 mmol/g N loading
Source
Particle Size
50-100 mesh
Source
Crosslinking
1 % cross-linked
Source
Empirical Formula (Hill Notation)
C6H8N2
Source
Purity
98%
Source
99%
Source
Molecule Details
Sigma Aldrich
635170
Packaging
5 g in glass bottle
Legal Information
JandaJel is a trademark of Sigma-Aldrich Co. LLC
195510
Packaging
1 g in glass bottle
References
PubChem Literature
No Data Available
Click here to submit data
Bioactivity
PubChem BioAssay
Registration numbers
•
PubChem SID
•
MDL Number
•
Beilstein Number
•
CAS Number
•
PubChem CID
Irritant (Xi)