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CAS 22718-49-6 1,1-Dimethylsemicarbazide molecular structure lightbox
CAS RN: 22718-49-6

1,1-Dimethylsemicarbazide

  • Product code: SSC-110793
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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 22718-49-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 0 Out of Stock Shenzhen Inquiry

22718-49-6 / dimethylaminourea

Standard CAS: 22718-49-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
22718-49-6
Multi CAS
No
Molecular Formula
C3H9N3O
Molecular Weight
103.120000
Exact Mass
103.074562
SMILES
CN(C)NC(=O)N
InChI
InChI=1S/C3H9N3O/c1-6(2)5-3(4)7/h1-2H3,(H3,4,5,7)
InChIKey
SVZFWZRCMLRFOM-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
7
Fraction Csp3
0.67
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
2
Molar refractivity
26.41
TPSA
58.36

LogP / Solubility

WLOGP
-0.87
MLOGP
-0.78
XLogP3
-0.8
Consensus LogP
-0.82
Log S (ESOL)
0.13
Class (ESOL)
Highly soluble
Log S (Ali)
0.22
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
0.27
Class (SILICOS-IT)
Highly soluble

ADME

GI absorption
Low
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)
-3.97

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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