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CAS 1075198-30-9 (1-Cyano-2-ethoxy-2-oxoethylidenaminooxy)dimethylaminomorpholinocarbenium Hexafluorophosphate molecular structure lightbox
CAS RN: 1075198-30-9

(1-Cyano-2-ethoxy-2-oxoethylidenaminooxy)dimethylaminomorpholinocarbenium Hexafluorophosphate

  • Product code: SSC-009063
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Verified Factory Data

Supply Overview & Packaging Options

Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.

  • Pack sizes on record: 5g, 10g, 25g, 100g, 500g, 1000g
  • Available purity: >97%, ≥95%
  • Inventory rows with stock: 5
  • Bulk packaging: confirmed by inquiry
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Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 1075198-30-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g >97% 5 In Stock Hong Kong Inquiry
10g >97% 5 In Stock Shanghai Inquiry
25g >97% 5 In Stock Hong Kong Inquiry
100g >97% 5 In Stock Shenzhen Inquiry
500g >97% 1 In Stock Hong Kong Inquiry
25g ≥95% 0 Out of Stock Shenzhen Inquiry
1000g >97% 0 Out of Stock Beijing Inquiry

1075198-30-9 / [[(Z)-(1-cyano-2-ethoxy-2-oxoethylidene)amino]oxy-morpholin-4-ylmethylidene]-dimethylazanium hexafluorophosphate

DTXSID10659200 | (((Z)-(1-Cyano-2-ethoxy-2-oxoethylidene)amino)oxy)-N,N-dimethyl(morpholin-4-yl)methaniminium hexafluorophosphate | {[(Z)-(1-Cyano-2-ethoxy-2-oxoethylidene)amino]oxy}-N,N-dimethyl(morpholin-4-yl)methaniminium hexafluorophosphate

Standard CAS: 1075198-30-9 Multi CAS: Yes
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1075198-30-9
Multi CAS
Yes
Molecular Formula
C12H19F6N4O4P
Molecular Weight
428.270000
Exact Mass
428.104811
SMILES
CCOC(=O)/C(=N\OC(=[N+](C)C)N1CCOCC1)/C#N.F[P-](F)(F)(F)(F)F
InChI
InChI=1S/C12H19N4O4.F6P/c1-4-19-11(17)10(9-13)14-20-12(15(2)3)16-5-7-18-8-6-16;1-7(2,3,4,5)6/h4-8H2,1-3H3;/q+1;-1/b14-10-;
InChIKey
GPDHNZNLPKYHCN-DZOOLQPHSA-N
Synonyms
DTXSID10659200 (((Z)-(1-Cyano-2-ethoxy-2-oxoethylidene)amino)oxy)-N,N-dimethyl(morpholin-4-yl)methaniminium hexafluorophosphate {[(Z)-(1-Cyano-2-ethoxy-2-oxoethylidene)amino]oxy}-N,N-dimethyl(morpholin-4-yl)methaniminium hexafluorophosphate RefChem:1048799 DTXCID30609949

Computed Properties

Structural Parameters

Heavy atom count
27
Fraction Csp3
0.67
Rotatable bonds
3
H-bond acceptors
6
Molar refractivity
83.84
TPSA
87.16

LogP / Solubility

WLOGP
2.79
MLOGP
2.48
XLogP3
2.79
Consensus LogP
2.69
Log S (ESOL)
-4.05
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.09
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.12
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-3.35

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (98%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

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