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CAS 17696-95-6 NSC82194 molecular structure lightbox
CAS RN: 17696-95-6

NSC82194

Product Availability

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4 package records3 with current stock2 grade groups
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250313 1g In stock Inquiry
Batchno.20251209 250mg In stock Inquiry
Batchno.20250215 5g In stock Inquiry
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250622 100mg / 250mg / 1g Out of stock 8-10 business days Inquiry
  • Product code: SSC-077410
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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 17696-95-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

17696-95-6 / 1-amino-3-methylurea

Standard CAS: 17696-95-6 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
17696-95-6
Multi CAS
No
Molecular Formula
C2H7N3O
Molecular Weight
89.100000
Exact Mass
89.058912
SMILES
CNC(=O)NN
InChI
InChI=1S/C2H7N3O/c1-4-2(6)5-3/h3H2,1H3,(H2,4,5,6)
InChIKey
LHYKTQVFLKHQSR-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
6
Fraction Csp3
0.5
H-bond acceptors
2
H-bond donors
3
Molar refractivity
21.78
TPSA
67.15

LogP / Solubility

WLOGP
-1.21
MLOGP
-1.08
XLogP3
-2.2
Consensus LogP
-1.5
Log S (ESOL)
0.37
Class (ESOL)
Highly soluble
Log S (Ali)
0.58
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
0.77
Class (SILICOS-IT)
Highly soluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-4.12

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

Safety & Transport

Pictogram(s)
Acute Toxic
Signal
Danger
GHS Hazard Statements
H301 (95%): Toxic if swallowed [Danger Acute toxicity, oral]
Precautionary Statement Codes
P264, P270, P301+P316, P321, P330, P405, and P501

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