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CAS 4535-87-9 N-(2-CHLOROETHYL)ETHANAMINE HYDRO CHLORIDE molecular structure lightbox
CAS RN: 4535-87-9

N-(2-CHLOROETHYL)ETHANAMINE HYDRO CHLORIDE

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250526 250mg / 1g / 5g Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS4535-87-9
  • Purity/Analytical Methods: >99.0%
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4535-87-9 / 2-chloroethyl(ethyl)azanium chloride

Standard CAS: 4535-87-9 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
4535-87-9
Multi CAS
Yes
Molecular Formula
C4H11CL2N
Molecular Weight
144.040000
Exact Mass
143.026855
InChI
InChI=1S/C4H10ClN.ClH/c1-2-6-4-3-5;/h6H,2-4H2,1H3;1H
InChIKey
ZNPQLXDWQPMSMR-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
7
Fraction Csp3
1
Rotatable bonds
3
H-bond acceptors
1
H-bond donors
1
Molar refractivity
28.05
TPSA
16.61

LogP / Solubility

WLOGP
-3.19
MLOGP
-2.81
XLogP3
-3.19
Consensus LogP
-3.06
Log S (ESOL)
1.47
Class (ESOL)
Highly soluble
Log S (Ali)
1.56
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
1.69
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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