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CAS 1035373-85-3 2-[2-(6-chloro-hexyloxy)-ethoxy]-ethylamine hydrochloride molecular structure lightbox
CAS RN: 1035373-85-3

2-[2-(6-chloro-hexyloxy)-ethoxy]-ethylamine hydrochloride

  • Product code: SSC-005115
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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: 0.25g, 1g, 5g
  • Available purity: ＞97%
  • 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 1035373-85-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ＞97% 0 Out of Stock Beijing Inquiry
1g ＞97% 0 Out of Stock Beijing Inquiry
5g ＞97% 0 Out of Stock Shanghai Inquiry

1035373-85-3 / 2-[2-(6-chlorohexoxy)ethoxy]ethanamine;hydrochloride

2-(2-((6-Chlorohexyl)oxy)ethoxy)ethylamine hydrochloride | 2-(2-((6-Chlorohexyl)oxy)ethoxy)ethanamine hydrochloride | 2-(2-(6-Chlorohexyloxy)ethoxy)ethanamine hydrochloride

Standard CAS: 1035373-85-3 Multi CAS: Yes
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1035373-85-3
Multi CAS
Yes
Molecular Formula
C10H23Cl2NO2
Molecular Weight
260.200000
Exact Mass
259.110584
SMILES
C(CCCCl)CCOCCOCCN.Cl
InChI
InChI=1S/C10H22ClNO2.ClH/c11-5-3-1-2-4-7-13-9-10-14-8-6-12;/h1-10,12H2;1H
InChIKey
KRGPBUVQAULFOQ-UHFFFAOYSA-N
Synonyms
2-(2-((6-Chlorohexyl)oxy)ethoxy)ethylamine hydrochloride 2-(2-((6-Chlorohexyl)oxy)ethoxy)ethanamine hydrochloride 2-(2-(6-Chlorohexyloxy)ethoxy)ethanamine hydrochloride MFCD32706550 SCHEMBL1438042

Computed Properties

Structural Parameters

Heavy atom count
15
Fraction Csp3
1
Rotatable bonds
11
H-bond acceptors
3
H-bond donors
1
Molar refractivity
67.13
TPSA
44.48

LogP / Solubility

WLOGP
2.2
MLOGP
1.94
XLogP3
2.2
Consensus LogP
2.11
Log S (ESOL)
-2.11
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.28
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.5
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.75

Drug-likeness / Medicinal Chemistry

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

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