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CAS 1354949-64-6 Methyl 2-amino-2-(pyridin-2-yl)acetate hydrochloride molecular structure lightbox
CAS RN: 1354949-64-6

Methyl 2-amino-2-(pyridin-2-yl)acetate hydrochloride

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Batchno.20250906 100mg / 250mg / 1g Out of stock 15 business days Inquiry
  • Product code: starshine_CAS1354949-64-6
  • Purity/Analytical Methods: >99.0%
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1354949-64-6 / methyl 2-amino-2-pyridin-2-ylacetate;hydrochloride

Standard CAS: 1354949-64-6 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1354949-64-6
Multi CAS
No
Molecular Formula
C8H11ClN2O2
Molecular Weight
202.640000
Exact Mass
202.050905
SMILES
COC(=O)C(C1=CC=CC=N1)N.Cl
InChI
InChI=1S/C8H10N2O2.ClH/c1-12-8(11)7(9)6-4-2-3-5-10-6;/h2-5,7H,9H2,1H3;1H
InChIKey
PCPOXRZFRXSGDS-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.25
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
1
Molar refractivity
50.43
TPSA
65.21

LogP / Solubility

WLOGP
0.68
MLOGP
0.6
XLogP3
0.68
Consensus LogP
0.65
Log S (ESOL)
-1.73
Class (ESOL)
Soluble
Log S (Ali)
-1.71
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.78
Class (SILICOS-IT)
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)
-3.48

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2

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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