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CAS 135540-11-3 1-(Chloro-1-pyrrolidinylmethylene)pyrrolidinium Hexafluorophosphate molecular structure lightbox
CAS RN: 135540-11-3

1-(Chloro-1-pyrrolidinylmethylene)pyrrolidinium Hexafluorophosphate

Product Availability

Choose a grade to view its available package options.

12 package records11 with current stock3 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250727 100g In stock Inquiry
Batchno.20250124 1g In stock Inquiry
Batchno.20250813 25g In stock Inquiry
Batchno.20260520 5g Out of stock Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250929 100g In stock Shanghai, Tianjin Inquiry
Batchno.20250114 1g In stock Shanghai, Tianjin, Wuhan, Chengdu Inquiry
Batchno.20250127 1kg In stock Shanghai Inquiry
Batchno.20251217 25g In stock Shanghai, Shenzhen, Tianjin, Chengdu Inquiry
Batchno.20250716 500g In stock Shanghai Inquiry
Batchno.20260121 5g In stock Shanghai, Shenzhen, Wuhan, Chengdu Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250108 25g In stock Shanghai, Shandong Inquiry
Batchno.20251106 5g In stock Shandong Inquiry
  • Product code: SSC-044069
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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: 25g
  • Available purity: ≥97%
  • 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 135540-11-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
25g ≥97% 0 Out of Stock Beijing Inquiry

135540-11-3 / 1-[chloro(pyrrolidin-1-ium-1-ylidene)methyl]pyrrolidine hexafluorophosphate

Standard CAS: 135540-11-3 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
135540-11-3
Multi CAS
No
Molecular Formula
C9H16ClF6N2P
Molecular Weight
332.650000
Exact Mass
332.064382
SMILES
C1CCN(C1)C(=[N+]2CCCC2)Cl.F[P-](F)(F)(F)(F)F
InChI
InChI=1S/C9H16ClN2.F6P/c10-9(11-5-1-2-6-11)12-7-3-4-8-12;1-7(2,3,4,5)6/h1-8H2;/q+1;-1
InChIKey
NHEGCUSBUWGOQM-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
19
Fraction Csp3
0.89
Rotatable bonds
1
H-bond acceptors
7
Molar refractivity
64.46
TPSA
6.25

LogP / Solubility

WLOGP
4.87
MLOGP
4.3
XLogP3
4.87
Consensus LogP
4.68
Log S (ESOL)
-4.97
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.8
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.86
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.29

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (97.6%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

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