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CAS 136849-72-4 O-[(Ethoxycarbonyl)cyanomethylenamino]-N,N,N’,N’-tetramethyluronium Tetrafluoroborate molecular structure lightbox
CAS RN: 136849-72-4

O-[(Ethoxycarbonyl)cyanomethylenamino]-N,N,N’,N’-tetramethyluronium Tetrafluoroborate

Product Availability

Choose a grade to view its available package options.

7 package records7 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250527 100g In stock Shanghai, Shenzhen, Wuhan, Chengdu Inquiry
Batchno.20260621 10g In stock Shanghai, Chengdu Inquiry
Batchno.20251210 1g In stock Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu Inquiry
Batchno.20250506 25g In stock Shanghai Inquiry
Batchno.20260531 500g In stock Shanghai, Tianjin Inquiry
Batchno.20250908 5g In stock Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250627 5g / 25g / 100g / 500g Confirm by inquiry Shanghai, Shandong 5-7 business days Inquiry
  • Product code: SSC-046043
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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, 5g, 10g, 25g
  • 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 136849-72-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g >97% 0 Out of Stock Shenzhen Inquiry
5g >97% 0 Out of Stock Shanghai Inquiry
10g >97% 0 Out of Stock Shanghai Inquiry
25g >97% 0 Out of Stock Beijing Inquiry

136849-72-4 / [[(Z)-(1-cyano-2-ethoxy-2-oxoethylidene)amino]oxy-(dimethylamino)methylidene]-dimethylazanium tetrafluoroborate

Standard CAS: 136849-72-4 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
136849-72-4
Multi CAS
No
Molecular Formula
C10H17BF4N4O3
Molecular Weight
328.070000
Exact Mass
328.132983
SMILES
[B-](F)(F)(F)F.CCOC(=O)/C(=N\OC(=[N+](C)C)N(C)C)/C#N
InChI
InChI=1S/C10H17N4O3.BF4/c1-6-16-9(15)8(7-11)12-17-10(13(2)3)14(4)5;2-1(3,4)5/h6H2,1-5H3;/q+1;-1/b12-8-;
InChIKey
FPQVGDGSRVMNMR-JCTPKUEWSA-N

Computed Properties

Structural Parameters

Heavy atom count
22
Fraction Csp3
0.6
Rotatable bonds
3
H-bond acceptors
5
Molar refractivity
71.75
TPSA
77.93

LogP / Solubility

WLOGP
0.94
MLOGP
0.84
XLogP3
0.94
Consensus LogP
0.91
Log S (ESOL)
-2.27
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.93
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.93
Class (SILICOS-IT)
Moderately 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)
-4.06

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
2.5

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H302 (20.4%): Harmful if swallowed [Warning Acute toxicity, oral] H315 (91.8%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (93.9%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (91.8%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

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