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CAS 18600-39-0 cyclopropanamine molecular structure lightbox
CAS RN: 18600-39-0

cyclopropanamine

  • Product code: SSC-086152
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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
  • 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 18600-39-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 0 Out of Stock Shanghai Inquiry

18600-39-0 / cyclopropanamine;hydrochloride

Standard CAS: 18600-39-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
18600-39-0
Multi CAS
No
Molecular Formula
C3H8ClN
Molecular Weight
93.550000
Exact Mass
93.034527
SMILES
C1CC1N.Cl
InChI
InChI=1S/C3H7N.ClH/c4-3-1-2-3;/h3H,1-2,4H2;1H
InChIKey
SIIJRCRHAIMFNT-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
5
Fraction Csp3
1
H-bond acceptors
1
H-bond donors
1
Molar refractivity
24.46
TPSA
26.02

LogP / Solubility

WLOGP
0.53
MLOGP
0.45
XLogP3
0.53
Consensus LogP
0.5
Log S (ESOL)
-0.75
Class (ESOL)
Very soluble
Log S (Ali)
-0.71
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.71
Class (SILICOS-IT)
Very 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)
-2.91

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1

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