CAS RN: 1170528-07-0
N-(pyridin-2-ylmethyl)acetamide hydrochloride
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.20250807 | 100mg / 250mg / 1g / 5g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1170528-07-0
- Purity/Analytical Methods: >99.0%
1170528-07-0 / N-(pyridin-2-ylmethyl)acetamide;hydrochloride
N-[(pyridin-2-yl)methyl]acetamide hydrochloride | N-((pyridin-2-yl)methyl)acetamide hydrochloride | RefChem:823226
Basic Information
CAS
1170528-07-0
Multi CAS
No
Molecular Formula
C8H11ClN2O
Molecular Weight
186.640000
Exact Mass
186.055991
SMILES
CC(=O)NCC1=CC=CC=N1.Cl
InChI
InChI=1S/C8H10N2O.ClH/c1-7(11)10-6-8-4-2-3-5-9-8;/h2-5H,6H2,1H3,(H,10,11);1H
InChIKey
BRECTPXCYBQPQO-UHFFFAOYSA-N
Synonyms
N-[(pyridin-2-yl)methyl]acetamide hydrochloride
N-((pyridin-2-yl)methyl)acetamide hydrochloride
RefChem:823226
997-982-4
N-(pyridin-2-ylmethyl)acetamide hydrochloride
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.25
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
1
Molar refractivity
49.01
TPSA
41.99
LogP / Solubility
WLOGP
1.14
MLOGP
1
XLogP3
1.14
Consensus LogP
1.09
Log S (ESOL)
-1.95
Class (ESOL)
Soluble
Log S (Ali)
-1.91
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.06
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)
-3.05
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)
Irritant
Signal
Warning
GHS Hazard Statements
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
H319 (100%): Causes serious eye irritation [Warning 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+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
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