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CAS 999-59-7 Methyl N,N-dimethylaminoacrylate molecular structure lightbox
CAS RN: 999-59-7

Methyl N,N-dimethylaminoacrylate

  • Product code: SSC-213411
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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 999-59-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

999-59-7 / methyl 3-(dimethylamino)prop-2-enoate

Standard CAS: 999-59-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
999-59-7
Multi CAS
No
Molecular Formula
C6H11NO2
Molecular Weight
129.160000
Exact Mass
129.078979
SMILES
CN(C)C=CC(=O)OC
InChI
InChI=1S/C6H11NO2/c1-7(2)5-4-6(8)9-3/h4-5H,1-3H3
InChIKey
MVPDNJQLPITPIX-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
9
Fraction Csp3
0.5
Rotatable bonds
2
H-bond acceptors
3
Molar refractivity
34.84
TPSA
29.54

LogP / Solubility

WLOGP
0.23
MLOGP
0.2
XLogP3
0.5
Consensus LogP
0.31
Log S (ESOL)
-0.66
Class (ESOL)
Very soluble
Log S (Ali)
-0.79
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.93
Class (SILICOS-IT)
Very 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)
-3.34

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

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