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CAS 736905-51-4 3-methoxypropanimidamide molecular structure lightbox
CAS RN: 736905-51-4

3-methoxypropanimidamide

  • Product code: SSC-183092
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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 736905-51-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

736905-51-4 / 3-methoxypropanimidamide

Standard CAS: 736905-51-4 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
736905-51-4
Multi CAS
Yes
Molecular Formula
C4H10N2O
Molecular Weight
102.140000
Exact Mass
102.079313
InChI
InChI=1S/C4H10N2O/c1-7-3-2-4(5)6/h2-3H2,1H3,(H3,5,6)
InChIKey
GOLODWMXGLKPFT-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
7
Fraction Csp3
0.75
Rotatable bonds
3
H-bond acceptors
2
H-bond donors
2
Molar refractivity
28.41
TPSA
59.1

LogP / Solubility

WLOGP
-0.04
MLOGP
-0.05
XLogP3
-1
Consensus LogP
-0.36
Log S (ESOL)
-0.25
Class (ESOL)
Very soluble
Log S (Ali)
-0.37
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.65
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)
-3.37

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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