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CAS 1192-63-8 1-PYRROLIDINECARBONYL CHLORIDE molecular structure lightbox
CAS RN: 1192-63-8

1-PYRROLIDINECARBONYL CHLORIDE

  • Product code: SSC-019688
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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: ≥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 1192-63-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥97% 0 Out of Stock Shenzhen Inquiry

1192-63-8 / pyrrolidine-1-carbonyl chloride

1-Pyrrolidinecarbonyl chloride | EINECS 214-758-7 | DTXSID9061596

Standard CAS: 1192-63-8 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1192-63-8
Multi CAS
No
Molecular Formula
C5H8ClNO
Molecular Weight
133.570000
Exact Mass
133.029442
SMILES
C1CCN(C1)C(=O)Cl
InChI
InChI=1S/C5H8ClNO/c6-5(8)7-3-1-2-4-7/h1-4H2
InChIKey
XACWJIQLDLUFSR-UHFFFAOYSA-N
Synonyms
1-Pyrrolidinecarbonyl chloride EINECS 214-758-7 DTXSID9061596 RefChem:77207 DTXCID7033494

Computed Properties

Structural Parameters

Heavy atom count
8
Fraction Csp3
0.8
H-bond acceptors
1
Molar refractivity
32.06
TPSA
20.31

LogP / Solubility

WLOGP
1.44
MLOGP
1.26
XLogP3
1.3
Consensus LogP
1.33
Log S (ESOL)
-1.58
Class (ESOL)
Soluble
Log S (Ali)
-1.7
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.72
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)
-2.51

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

Safety & Transport

Pictogram(s)
Corrosive
Signal
Danger
GHS Hazard Statements
H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation] H318 (88.6%): Causes serious eye damage [Danger Serious eye damage/eye irritation]
Precautionary Statement Codes
P260, P264, P264+P265, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P363, P405, and P501

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