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CAS 13749-61-6 N-Isopropylmethacrylamide molecular structure lightbox
CAS RN: 13749-61-6

N-Isopropylmethacrylamide

Product Availability

Choose a grade to view its available package options.

9 package records8 with current stock3 grade groups
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260106 100g In stock Shanghai Inquiry
Batchno.20250225 1g In stock Shanghai Inquiry
Batchno.20260128 1g / 5g / 25g / 100g / 500g Confirm by inquiry Shanghai, Shandong, Guangdong Inquiry
Batchno.20250113 1kg In stock Shanghai, Tianjin Inquiry
Batchno.20251023 25g In stock Shanghai, Wuhan Inquiry
Batchno.20250911 500g In stock Shanghai, Tianjin Inquiry
Batchno.20251017 5g In stock Shanghai Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20251013 1g / 5g Out of stock 8-10 business days Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250402 1g / 5g / 25g Confirm by inquiry Shanghai Inquiry
  • Product code: SSC-047125
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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: 100g
  • 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 13749-61-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
100g ≥95% 0 Out of Stock Hong Kong Inquiry

13749-61-6 / 2-methyl-N-propan-2-ylprop-2-enamide

Standard CAS: 13749-61-6 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
13749-61-6
Multi CAS
No
Molecular Formula
C7H13NO
Molecular Weight
127.180000
Exact Mass
127.099714
SMILES
CC(C)NC(=O)C(=C)C
InChI
InChI=1S/C7H13NO/c1-5(2)7(9)8-6(3)4/h6H,1H2,2-4H3,(H,8,9)
InChIKey
YQIGLEFUZMIVHU-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
9
Fraction Csp3
0.57
Rotatable bonds
2
H-bond acceptors
1
H-bond donors
1
Molar refractivity
38.09
TPSA
29.1

LogP / Solubility

WLOGP
1.09
MLOGP
0.95
XLogP3
1.3
Consensus LogP
1.11
Log S (ESOL)
-1.18
Class (ESOL)
Soluble
Log S (Ali)
-1.39
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.63
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)
-2.72

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)
Irritant
Signal
Warning
GHS Hazard Statements
H315 (80.8%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (90.4%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (80.8%): 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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