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CAS 103976-61-0 ethyl 2-(methylamino)pyridine-3-carboxylate molecular structure lightbox
CAS RN: 103976-61-0

ethyl 2-(methylamino)pyridine-3-carboxylate

  • Product code: SSC-005636
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Verified Factory Data

Supply Overview & Packaging Options

Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.

  • Pack sizes on record: 1g, 0.1g, 0.25g, 5g, 10g
  • Available purity: ≥95%
  • Inventory rows with stock: 5
  • Bulk packaging: confirmed by inquiry
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Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 103976-61-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 5 In Stock Shenzhen Inquiry
0.1g ≥95% 2 In Stock Shenzhen Inquiry
0.25g ≥95% 2 In Stock Beijing Inquiry
5g ≥95% 2 In Stock Hong Kong Inquiry
10g ≥95% 2 In Stock Beijing Inquiry

103976-61-0 / ethyl 2-(methylamino)pyridine-3-carboxylate

ethyl 2-(methylamino)pyridine-3-carboxylate | RefChem:594019 | 827-997-2

Standard CAS: 103976-61-0 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
103976-61-0
Multi CAS
No
Molecular Formula
C9H12N2O2
Molecular Weight
180.200000
Exact Mass
180.089878
SMILES
CCOC(=O)C1=C(N=CC=C1)NC
InChI
InChI=1S/C9H12N2O2/c1-3-13-9(12)7-5-4-6-11-8(7)10-2/h4-6H,3H2,1-2H3,(H,10,11)
InChIKey
QRZKSXMODOEUOH-UHFFFAOYSA-N
Synonyms
ethyl 2-(methylamino)pyridine-3-carboxylate RefChem:594019 827-997-2 MFCD11119739 Ethyl 2-(Methylamino)Nicotinate

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.33
Rotatable bonds
3
H-bond acceptors
4
H-bond donors
1
Molar refractivity
49.74
TPSA
51.22

LogP / Solubility

WLOGP
1.3
MLOGP
1.14
XLogP3
1.9
Consensus LogP
1.45
Log S (ESOL)
-1.92
Class (ESOL)
Soluble
Log S (Ali)
-1.98
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.27
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)
-2.9

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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