CAS 13028-69-8 (1-Butyl)triethylammonium bromide molecular structure

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CAS RN: 13028-69-8

(1-Butyl)triethylammonium bromide

Product code: starshine_CAS13028-69-8

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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, 10g, 25g, 100g
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 13028-69-8
Pack Size	Recorded Purity	Available Qty	Ship From	Inquiry
5g	95%+	0 Out of Stock	Shanghai	Inquiry
10g	95%+	0 Out of Stock	Hong Kong	Inquiry
25g	95%+	0 Out of Stock	Hong Kong	Inquiry
100g	95%+	0 Out of Stock	Beijing	Inquiry

13028-69-8 / butyl(triethyl)azanium bromide

Standard CAS: 13028-69-8 Multi CAS: No

Basic Information Computed Properties Safety & Transport

Basic Information

CAS

13028-69-8

Multi CAS

Molecular Formula

C10H24BrN

Molecular Weight

238.210000

Exact Mass

237.109210

SMILES

CCCC[N+](CC)(CC)CC.[Br-]

InChI

InChI=1S/C10H24N.BrH/c1-5-9-10-11(6-2,7-3)8-4;/h5-10H2,1-4H3;1H/q+1;/p-1

InChIKey

ZNFYPPCUDSCDPR-UHFFFAOYSA-M

Computed Properties

Structural Parameters

Heavy atom count

Fraction Csp3

Rotatable bonds

H-bond acceptors

Molar refractivity

51.66

TPSA

0.0000

LogP / Solubility

WLOGP

-0.33

MLOGP

-0.29

XLogP3

-0.33

Consensus LogP

-0.32

Log S (ESOL)

-0.71

Class (ESOL)

Very soluble

Log S (Ali)

-1.27

Class (Ali)

Soluble

Log S (SILICOS-IT)

-1.65

Class (SILICOS-IT)

Soluble

ADME

GI absorption

High

BBB permeant

Yes

P-gp substrate

CYP1A2 inhibitor

CYP2C19 inhibitor

CYP2C9 inhibitor

CYP2D6 inhibitor

CYP3A4 inhibitor

Log Kp (skin permeation)

-4.41

Drug-likeness / Medicinal Chemistry

Lipinski

Yes

Ghose

Veber

Yes

Egan

Yes

Muegge

Yes

Bioavailability score

0.55

Brenk alerts

Leadlikeness

Synthetic Accessibility

1.5

Safety & Transport

Pictogram(s)

Irritant

Signal

Warning

GHS Hazard Statements

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]

Precautionary Statement Codes

P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, and P362+P364