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CAS 21478-66-0 Trimethylchloromethylammonium,chloride molecular structure lightbox
CAS RN: 21478-66-0

Trimethylchloromethylammonium,chloride

  • Product code: SSC-102977
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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: 5g
  • 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 21478-66-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 0 Out of Stock Shenzhen Inquiry

21478-66-0 / chloromethyl(trimethyl)azanium chloride

Standard CAS: 21478-66-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
21478-66-0
Multi CAS
No
Molecular Formula
C4H11Cl2N
Molecular Weight
144.040000
Exact Mass
143.026855
SMILES
C[N+](C)(C)CCl.[Cl-]
InChI
InChI=1S/C4H11ClN.ClH/c1-6(2,3)4-5;/h4H2,1-3H3;1H/q+1;/p-1
InChIKey
NBSLGBOEWZMSAL-UHFFFAOYSA-M

Computed Properties

Structural Parameters

Heavy atom count
7
Fraction Csp3
1
Rotatable bonds
1
H-bond acceptors
1
Molar refractivity
28.75
TPSA
0.0000

LogP / Solubility

WLOGP
-2.11
MLOGP
-1.86
XLogP3
-2.11
Consensus LogP
-2.03
Log S (ESOL)
0.66
Class (ESOL)
Highly soluble
Log S (Ali)
0.78
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
1.03
Class (SILICOS-IT)
Highly soluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-5.09

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

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