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CAS 155137-13-6 Pyrrolidine, 3-methylene-, hydrochloride molecular structure lightbox
CAS RN: 155137-13-6

Pyrrolidine, 3-methylene-, hydrochloride

  • Product code: SSC-064448
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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 155137-13-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

155137-13-6 / 3-methylidenepyrrolidine;hydrochloride

Standard CAS: 155137-13-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
155137-13-6
Multi CAS
No
Molecular Formula
C5H10ClN
Molecular Weight
119.590000
Exact Mass
119.050177
SMILES
C=C1CCNC1.Cl
InChI
InChI=1S/C5H9N.ClH/c1-5-2-3-6-4-5;/h6H,1-4H2;1H
InChIKey
UDNZEDVMZUGTPP-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
7
Fraction Csp3
0.6
H-bond acceptors
1
H-bond donors
1
Molar refractivity
33.87
TPSA
12.03

LogP / Solubility

WLOGP
0.96
MLOGP
0.83
XLogP3
0.96
Consensus LogP
0.92
Log S (ESOL)
-1.18
Class (ESOL)
Soluble
Log S (Ali)
-1.23
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.23
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)
-2.77

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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