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CAS 22195-47-7 (2,2-DIMETHYL-[1,3]-DIOXOLAN-4-YL)-METHYLAMINE molecular structure lightbox
CAS RN: 22195-47-7

(2,2-DIMETHYL-[1,3]-DIOXOLAN-4-YL)-METHYLAMINE

  • Product code: SSC-106776
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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: ≥97%
  • 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 22195-47-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥97% 0 Out of Stock Shenzhen Inquiry

22195-47-7 / (2,2-dimethyl-1,3-dioxolan-4-yl)methanamine

Standard CAS: 22195-47-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
22195-47-7
Multi CAS
No
Molecular Formula
C6H13NO2
Molecular Weight
131.170000
Exact Mass
131.094629
SMILES
CC1(OCC(O1)CN)C
InChI
InChI=1S/C6H13NO2/c1-6(2)8-4-5(3-7)9-6/h5H,3-4,7H2,1-2H3
InChIKey
HXOYWCSTHVTLOW-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
9
Fraction Csp3
1
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
33.96
TPSA
44.48

LogP / Solubility

WLOGP
0.1
MLOGP
0.08
XLogP3
-0.5
Consensus LogP
-0.11
Log S (ESOL)
-0.65
Class (ESOL)
Very soluble
Log S (Ali)
-0.71
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.71
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)
-3.45

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2

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