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CAS 5590-29-4 N-2-Chloroethyl ethylene diamine hydrochloride molecular structure lightbox
CAS RN: 5590-29-4

N-2-Chloroethyl ethylene diamine hydrochloride

  • Product code: SSC-163852
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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 5590-29-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

5590-29-4 / N'-(2-chloroethyl)ethane-1,2-diamine;hydrochloride

Standard CAS: 5590-29-4 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
5590-29-4
Multi CAS
Yes
Molecular Formula
C4H12CL2N2
Molecular Weight
159.050000
Exact Mass
158.037754
InChI
InChI=1S/C4H11ClN2.ClH/c5-1-3-7-4-2-6;/h7H,1-4,6H2;1H
InChIKey
OCTUDYDANKLSIO-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
8
Fraction Csp3
1
Rotatable bonds
4
H-bond acceptors
2
H-bond donors
2
Molar refractivity
39.89
TPSA
38.05

LogP / Solubility

WLOGP
0.2
MLOGP
0.17
XLogP3
0.2
Consensus LogP
0.19
Log S (ESOL)
-0.69
Class (ESOL)
Very soluble
Log S (Ali)
-1.01
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.34
Class (SILICOS-IT)
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)
-3.55

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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