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: 100g, 500g, 1000g
- Available purity: ≥98%
- Inventory rows with stock: 3
- Bulk packaging: confirmed by inquiry
Available Pack Sizes & Stock
Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.
461-58-5 / 2-cyanoguanidine
Basic Information
CAS
461-58-5
Multi CAS
Yes
Molecular Formula
C2H4N4
Molecular Weight
84.080000
Exact Mass
84.043596
InChI
InChI=1S/C2H4N4/c3-1-6-2(4)5/h(H4,4,5,6)
InChIKey
QGBSISYHAICWAH-UHFFFAOYSA-N
Physical Properties
Melting Point
209.5 °C
211 °C
Density
1.400 @ 25 °C/4 °C
1.4 g/cm³
Physical Description
Pellets or Large Crystals; Pellets or Large Crystals, Liquid; Dry Powder; Liquid; Other Solid
White odorless solid; [HSDB] White powder;
WHITE CRYSTALLINE POWDER.
Appearance
MONOCLINIC PRISMATIC CRYSTALS FROM WATER OR ALCOHOL
PURE WHITE CRYSTALS
State
Solid
Computed Properties
Structural Parameters
Heavy atom count
6
H-bond acceptors
2
H-bond donors
2
Molar refractivity
21.42
TPSA
88.19
LogP / Solubility
WLOGP
-1.26
MLOGP
-1.12
XLogP3
-1.2
Consensus LogP
-1.19
Log S (ESOL)
0.43
Class (ESOL)
Highly soluble
Log S (Ali)
0.66
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
0.84
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)
-4.13
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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