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CAS 26780-96-1 Poly(1,2-dihydro-2,2,4-trimethylquinoline) molecular structure lightbox
CAS RN: 26780-96-1

Poly(1,2-dihydro-2,2,4-trimethylquinoline)

Product Availability

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4 package records4 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250707 100g In stock Shanghai, Tianjin Inquiry
Batchno.20251122 1kg In stock Shanghai, Wuhan Inquiry
Batchno.20260113 25g In stock Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu Inquiry
Batchno.20260407 500g In stock Shanghai, Chengdu Inquiry
  • Product code: SSC-124942
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 500g
  • Available purity: 95%+
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 26780-96-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
500g 95%+ 0 Out of Stock Shenzhen Inquiry

26780-96-1 / 2,2,4-trimethyl-1H-quinoline

Standard CAS: 26780-96-1 Multi CAS: Yes
Basic Information Physical Properties Computed Properties

Basic Information

CAS
26780-96-1
Multi CAS
Yes
Molecular Formula
C12H15N
Molecular Weight
173.250000
Exact Mass
173.120449
InChI
InChI=1S/C12H15N/c1-9-8-12(2,3)13-11-7-5-4-6-10(9)11/h4-8,13H,1-3H3
InChIKey
ZNRLMGFXSPUZNR-UHFFFAOYSA-N

Physical Properties

Melting Point
79 to 81 °F (NTP, 1992) 120 °C
Boiling Point
491 to 500 °F at 743 mmHg (NTP, 1992)
Density
1.03 at 77 °F (NTP, 1992) - Denser than water; will sink 1.08 @ 25 °C
Physical Description
1,2-dihydro-2,2,4-trimethylquinoline appears as dark cloudy copper-colored or yellow liquid. Odorless. (NTP, 1992) Other Solid Light tan powder; mp = 120 deg C; [HSDB] Dark cloudy copper-colored or yellow liquid; mp = 26-27 deg C; [CAMEO] Amber or brown granules; mp = 80-100 deg C
Appearance
LIGHT TAN POWDER
State
Liquid

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.33
H-bond acceptors
1
H-bond donors
1
Molar refractivity
57.79
TPSA
12.03

LogP / Solubility

WLOGP
3.29
MLOGP
2.9
XLogP3
2.8
Consensus LogP
3
Log S (ESOL)
-3.33
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.36
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.52
Class (SILICOS-IT)
Poorly 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)
-1.44

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5

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