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CAS 142753-10-4 2-(N-METHYL-2-AMINOETHYL)-1,3-DIOXOLANE molecular structure lightbox
CAS RN: 142753-10-4

2-(N-METHYL-2-AMINOETHYL)-1,3-DIOXOLANE

  • Product code: SSC-053979
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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: 5g
  • 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 142753-10-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 0 Out of Stock Shanghai Inquiry

142753-10-4 / 2-(1,3-dioxolan-2-yl)-N-methylethanamine

Standard CAS: 142753-10-4 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
142753-10-4
Multi CAS
No
Molecular Formula
C6H13NO2
Molecular Weight
131.170000
Exact Mass
131.094629
SMILES
CNCCC1OCCO1
InChI
InChI=1S/C6H13NO2/c1-7-3-2-6-8-4-5-9-6/h6-7H,2-5H2,1H3
InChIKey
ZUUQKDDUUOFCNP-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
9
Fraction Csp3
1
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
1
Molar refractivity
34.24
TPSA
30.49

LogP / Solubility

WLOGP
-0.03
MLOGP
-0.04
XLogP3
-0.2
Consensus LogP
-0.09
Log S (ESOL)
-0.44
Class (ESOL)
Very soluble
Log S (Ali)
-0.61
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.85
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)
-3.54

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
Precautionary Statement Codes
P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, and P362+P364

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