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CAS 3399-67-5 (2-AMINOETHYL)TRIMETHYLAMMONIUM CHLORIDE HYDROCHLORIDE molecular structure lightbox
CAS RN: 3399-67-5

(2-AMINOETHYL)TRIMETHYLAMMONIUM CHLORIDE HYDROCHLORIDE

  • Product code: SSC-140204
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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: 1g
  • 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 3399-67-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

3399-67-5 / 2-aminoethyl(trimethyl)azanium;chloride;hydrochloride

Standard CAS: 3399-67-5 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
3399-67-5
Multi CAS
Yes
Molecular Formula
C5H16CL2N2
Molecular Weight
175.100000
Exact Mass
174.069054
InChI
InChI=1S/C5H15N2.2ClH/c1-7(2,3)5-4-6;;/h4-6H2,1-3H3;2*1H/q+1;;/p-1
InChIKey
GJBYCNLSIBQCRF-UHFFFAOYSA-M

Computed Properties

Structural Parameters

Heavy atom count
9
Fraction Csp3
1
Rotatable bonds
2
H-bond acceptors
1
H-bond donors
1
Molar refractivity
39.2
TPSA
26.02

LogP / Solubility

WLOGP
-2.92
MLOGP
-2.58
XLogP3
-2.92
Consensus LogP
-2.81
Log S (ESOL)
1.05
Class (ESOL)
Highly soluble
Log S (Ali)
1.11
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
1.39
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)
-5.86

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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