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CAS 918633-67-7 N-(2-Chloroethyl)cyclopropanamine hydrochloride molecular structure lightbox
CAS RN: 918633-67-7

N-(2-Chloroethyl)cyclopropanamine hydrochloride

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250621 25mg / 100mg Out of stock 15 business days Inquiry
  • Product code: LINN929038
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918633-67-7 / N-(2-chloroethyl)cyclopropanamine;hydrochloride

Standard CAS: 918633-67-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
918633-67-7
Multi CAS
No
Molecular Formula
C5H11CL2N
Molecular Weight
156.050000
Exact Mass
155.026855
InChI
InChI=1S/C5H10ClN.ClH/c6-3-4-7-5-1-2-5;/h5,7H,1-4H2;1H
InChIKey
LPWYIMUYYPTXFO-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
8
Fraction Csp3
1
Rotatable bonds
3
H-bond acceptors
1
H-bond donors
1
Molar refractivity
38.99
TPSA
12.03

LogP / Solubility

WLOGP
1.4
MLOGP
1.23
XLogP3
1.4
Consensus LogP
1.34
Log S (ESOL)
-1.49
Class (ESOL)
Soluble
Log S (Ali)
-1.85
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.2
Class (SILICOS-IT)
Moderately 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)
-2.68

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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