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CAS 188403-10-3 ALLYL N-[2-(METHYLAMINO)ETHYL]CARBAMATE molecular structure lightbox
CAS RN: 188403-10-3

ALLYL N-[2-(METHYLAMINO)ETHYL]CARBAMATE

  • Product code: SSC-087654
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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 188403-10-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

188403-10-3 / prop-2-enyl N-[2-(methylamino)ethyl]carbamate

Standard CAS: 188403-10-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
188403-10-3
Multi CAS
No
Molecular Formula
C7H14N2O2
Molecular Weight
158.200000
Exact Mass
158.105528
SMILES
CNCCNC(=O)OCC=C
InChI
InChI=1S/C7H14N2O2/c1-3-6-11-7(10)9-5-4-8-2/h3,8H,1,4-6H2,2H3,(H,9,10)
InChIKey
KWUXKYITOPQQRK-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Fraction Csp3
0.57
Rotatable bonds
5
H-bond acceptors
3
H-bond donors
2
Molar refractivity
43.47
TPSA
50.36

LogP / Solubility

WLOGP
0.12
MLOGP
0.1
XLogP3
0.2
Consensus LogP
0.14
Log S (ESOL)
-0.57
Class (ESOL)
Very soluble
Log S (Ali)
-0.94
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-1.39
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)
-3.6

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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