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CAS 63419-77-2 CYANOGUANIDINE-15N4 molecular structure lightbox
CAS RN: 63419-77-2

CYANOGUANIDINE-15N4

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250408 5mg Out of stock 30 business days Inquiry
  • Product code: starshine_CAS63419-77-2
  • Purity/Analytical Methods: >99.0%
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63419-77-2 / 2-cyanoguanidine

Standard CAS: 63419-77-2 Multi CAS: Yes
Basic Information Physical Properties Computed Properties

Basic Information

CAS
63419-77-2
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)/i3+1,4+1,5+1,6+1
InChIKey
QGBSISYHAICWAH-PQVJJBODSA-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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