![CAS 100868-72-2 2-[(Methylamino)methyl]pyridinedihydrochloride molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/100868-72-2.gif)
CAS RN: 100868-72-2
2-[(Methylamino)methyl]pyridinedihydrochloride
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20260123 | 250mg / 1g / 5g / 25g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS100868-72-2
- Purity/Analytical Methods: >99.0%
100868-72-2 / N-methyl-1-pyridin-2-ylmethanamine;dihydrochloride
2-[(Methylamino)methyl]pyridine dihydrochloride | 2-((Methylamino)methyl)pyridine dihydrochloride | RefChem:449942
Basic Information
CAS
100868-72-2
Multi CAS
No
Molecular Formula
C7H12Cl2N2
Molecular Weight
195.090000
Exact Mass
194.037754
SMILES
CNCC1=CC=CC=N1.Cl.Cl
InChI
InChI=1S/C7H10N2.2ClH/c1-8-6-7-4-2-3-5-9-7;;/h2-5,8H,6H2,1H3;2*1H
InChIKey
UWUAILSWRYUAMP-UHFFFAOYSA-N
Synonyms
2-[(Methylamino)methyl]pyridine dihydrochloride
2-((Methylamino)methyl)pyridine dihydrochloride
RefChem:449942
810-862-7
N-methyl-1-(pyridin-2-yl)methanamine dihydrochloride
Computed Properties
Structural Parameters
Heavy atom count
11
Aromatic heavy atom count
6
Fraction Csp3
0.29
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
1
Molar refractivity
51.5
TPSA
24.92
LogP / Solubility
WLOGP
1.64
MLOGP
1.45
XLogP3
1.64
Consensus LogP
1.58
Log S (ESOL)
-2.36
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.35
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.53
Class (SILICOS-IT)
Moderately soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.74
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
Safety & Transport
Pictogram(s)
Corrosive
Irritant
Signal
Danger
GHS Hazard Statements
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
H318 (100%): Causes serious eye damage [Danger Serious eye damage/eye irritation]
H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P403+P233, P405, and P501
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