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CAS 1262230-03-4 Tributyl(methyl)ammonium Dicyanamide molecular structure lightbox
CAS RN: 1262230-03-4

Tributyl(methyl)ammonium Dicyanamide

  • Product code: SSC-033088
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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 1262230-03-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 0 Out of Stock Shanghai Inquiry

1262230-03-4 / cyanoiminomethylideneazanide;tributyl(methyl)azanium

Standard CAS: 1262230-03-4 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1262230-03-4
Multi CAS
No
Molecular Formula
C15H30N4
Molecular Weight
266.430000
Exact Mass
266.247047
SMILES
CCCC[N+](C)(CCCC)CCCC.C(=[N-])=NC#N
InChI
InChI=1S/C13H30N.C2N3/c1-5-8-11-14(4,12-9-6-2)13-10-7-3;3-1-5-2-4/h5-13H2,1-4H3;/q+1;-1
InChIKey
FMYCKRQZPVZFLW-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
19
Fraction Csp3
0.87
Rotatable bonds
9
H-bond acceptors
2
Molar refractivity
81.92
TPSA
58.45

LogP / Solubility

WLOGP
4.04
MLOGP
3.57
XLogP3
4.04
Consensus LogP
3.88
Log S (ESOL)
-3.45
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.66
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.83
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
No
Log Kp (skin permeation)
-1.47

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

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]
Precautionary Statement Codes
P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, and P362+P364

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