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CAS 19481-79-9 2-Iodo-2-methylpropionitrile molecular structure lightbox
CAS RN: 19481-79-9

2-Iodo-2-methylpropionitrile

Product Availability

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7 package records3 with current stock3 grade groups
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250829 1g In stock Shanghai, Shandong, Guangdong Inquiry
Batchno.20260107 250mg In stock Shanghai, Guangdong Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20251203 100mg Out of stock Inquiry
Batchno.20250322 1g Out of stock Inquiry
Batchno.20250121 250mg Out of stock Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20251025 1g In stock Shanghai Inquiry
Batchno.20251101 250mg Out of stock 8-10 business days Inquiry
  • Product code: SSC-091878
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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 19481-79-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

19481-79-9 / 2-iodo-2-methylpropanenitrile

Standard CAS: 19481-79-9 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
19481-79-9
Multi CAS
No
Molecular Formula
C4H6IN
Molecular Weight
195.000000
Exact Mass
194.954500
SMILES
CC(C)(C#N)I
InChI
InChI=1S/C4H6IN/c1-4(2,5)3-6/h1-2H3
InChIKey
DBESYUOJKJZGLV-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
6
Fraction Csp3
0.75
H-bond acceptors
1
Molar refractivity
33.71
TPSA
23.79

LogP / Solubility

WLOGP
1.72
MLOGP
1.52
XLogP3
1.6
Consensus LogP
1.61
Log S (ESOL)
-2.13
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.4
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.36
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)
-2.69

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)
Acute Toxic
Signal
Danger
GHS Hazard Statements
H301+H311+H331 (100%): Toxic if swallowed, in contact with skin or if inhaled [Danger Acute toxicity, oral; acute toxicity, dermal; acute toxicity, inhalation] H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral] H311 (100%): Toxic in contact with skin [Danger Acute toxicity, dermal] H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
Precautionary Statement Codes
P261, P262, P264, P264+P265, P270, P271, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P316, P321, P330, P332+P317, P337+P317, P361+P364, P362+P364, P403+P233, P405, and P501

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