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CAS 1173081-96-3 3-(aMinoMethyl)-4,6-diMethyl-1,2-dihydropyridin-2-one hydrochloride molecular structure lightbox
CAS RN: 1173081-96-3

3-(aMinoMethyl)-4,6-diMethyl-1,2-dihydropyridin-2-one hydrochloride

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityInquiry
Batchno.20250503 1g In stock Inquiry
  • Product code: SSC-017172
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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, 0.25g, 5g, 10g
  • Available purity: ≥95%
  • Inventory rows with stock: 3
  • 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 1173081-96-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 5 In Stock Hong Kong Inquiry
0.25g ≥95% 1 In Stock Shenzhen Inquiry
5g ≥95% 1 In Stock Shenzhen Inquiry
10g ≥95% 0 Out of Stock Shanghai Inquiry

1173081-96-3 / 3-(aminomethyl)-4,6-dimethyl-1H-pyridin-2-one;hydrochloride

3-(AMINOMETHYL)-4,6-DIMETHYL-1,2-DIHYDROPYRIDIN-2-ONE HYDROCHLORIDE | RefChem:494064 | 822-586-4

Standard CAS: 1173081-96-3 Multi CAS: Yes
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1173081-96-3
Multi CAS
Yes
Molecular Formula
C8H13ClN2O
Molecular Weight
188.650000
Exact Mass
188.071641
SMILES
CC1=CC(=C(C(=O)N1)CN)C.Cl
InChI
InChI=1S/C8H12N2O.ClH/c1-5-3-6(2)10-8(11)7(5)4-9;/h3H,4,9H2,1-2H3,(H,10,11);1H
InChIKey
ZMDPNGUJHPRAMG-UHFFFAOYSA-N
Synonyms
3-(AMINOMETHYL)-4,6-DIMETHYL-1,2-DIHYDROPYRIDIN-2-ONE HYDROCHLORIDE RefChem:494064 822-586-4 3-(aminomethyl)-4,6-dimethylpyridin-2(1H)-one hydrochloride MFCD09053337

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.38
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
2
Molar refractivity
51.68
TPSA
58.88

LogP / Solubility

WLOGP
0.87
MLOGP
0.77
XLogP3
0.87
Consensus LogP
0.84
Log S (ESOL)
-1.86
Class (ESOL)
Soluble
Log S (Ali)
-1.74
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.73
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)
-3.25

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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