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CAS 45514-40-7 1,3-dimethylimidazolidin-2-imine molecular structure lightbox
CAS RN: 45514-40-7

1,3-dimethylimidazolidin-2-imine

  • Product code: SSC-153261
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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: 0.1g, 0.25g, 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 45514-40-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g >95% 0 Out of Stock Shanghai Inquiry
0.25g >95% 0 Out of Stock Beijing Inquiry
1g >95% 0 Out of Stock Hong Kong Inquiry

45514-40-7 / 1,3-dimethylimidazolidin-2-imine

Standard CAS: 45514-40-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
45514-40-7
Multi CAS
No
Molecular Formula
C5H11N3
Molecular Weight
113.160000
Exact Mass
113.095297
InChI
InChI=1S/C5H11N3/c1-7-3-4-8(2)5(7)6/h6H,3-4H2,1-2H3
InChIKey
KSESOTWVQYBRLJ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
8
Fraction Csp3
0.8
H-bond acceptors
1
H-bond donors
1
Molar refractivity
32.99
TPSA
30.33

LogP / Solubility

WLOGP
-0.2
MLOGP
-0.19
XLogP3
-0.4
Consensus LogP
-0.26
Log S (ESOL)
-0.41
Class (ESOL)
Very soluble
Log S (Ali)
-0.34
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.23
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)
-3.55

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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