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CAS 16669-59-3 N-(Isobutoxymethyl)acrylamide molecular structure lightbox
CAS RN: 16669-59-3

N-(Isobutoxymethyl)acrylamide

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260223 5ml / 25ml / 100ml / 500ml / 2.5L Confirm by inquiry Shanghai, Hebei, Shandong Inquiry
  • Product code: SSC-072735
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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: 25ml
  • 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 16669-59-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
25ml ＞95% 0 Out of Stock Shenzhen Inquiry

16669-59-3 / N-(2-methylpropoxymethyl)prop-2-enamide

Standard CAS: 16669-59-3 Multi CAS: No
Basic Information Physical Properties Computed Properties Safety & Transport

Basic Information

CAS
16669-59-3
Multi CAS
No
Molecular Formula
C8H15NO2
Molecular Weight
157.210000
Exact Mass
157.110279
SMILES
CC(C)COCNC(=O)C=C
InChI
InChI=1S/C8H15NO2/c1-4-8(10)9-6-11-5-7(2)3/h4,7H,1,5-6H2,2-3H3,(H,9,10)
InChIKey
KCTMTGOHHMRJHZ-UHFFFAOYSA-N

Physical Properties

Physical Description
Liquid
State
Liquid

Computed Properties

Structural Parameters

Heavy atom count
11
Fraction Csp3
0.62
Rotatable bonds
5
H-bond acceptors
2
H-bond donors
1
Molar refractivity
44
TPSA
38.33

LogP / Solubility

WLOGP
0.92
MLOGP
0.8
XLogP3
1.4
Consensus LogP
1.04
Log S (ESOL)
-1.06
Class (ESOL)
Soluble
Log S (Ali)
-1.51
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.04
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)
-3.03

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
H302 (94.3%): Harmful if swallowed [Warning Acute toxicity, oral] H312 (91%): Harmful in contact with skin [Warning Acute toxicity, dermal]
Precautionary Statement Codes
P264, P270, P280, P301+P317, P302+P352, P317, P321, P330, P362+P364, and P501

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