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CAS 286013-04-5 GUANIDINE-13C HYDROCHLORIDE molecular structure lightbox
CAS RN: 286013-04-5

GUANIDINE-13C HYDROCHLORIDE

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250413 100mg Out of stock 15 business days Inquiry
  • Product code: starshine_CAS286013-04-5
  • Purity/Analytical Methods: >99.0%
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286013-04-5 / guanidine;hydrochloride

Standard CAS: 286013-04-5 Multi CAS: Yes
Basic Information Physical Properties Computed Properties

Basic Information

CAS
286013-04-5
Multi CAS
Yes
Molecular Formula
CH6CLN3
Molecular Weight
95.530000
Exact Mass
95.025025
InChI
InChI=1S/CH5N3.ClH/c2-1(3)4;/h(H5,2,3,4);1H
InChIKey
PJJJBBJSCAKJQF-UHFFFAOYSA-N

Physical Properties

Melting Point
178-185 °C
Density
1.3 g/cm³
Physical Description
Dry Powder, Liquid; Liquid HYGROSCOPIC CRYSTALLINE POWDER.
State
Solid

Computed Properties

Structural Parameters

Heavy atom count
5
H-bond acceptors
1
H-bond donors
3
Molar refractivity
23.35
TPSA
75.89

LogP / Solubility

WLOGP
-0.74
MLOGP
-0.66
XLogP3
-0.74
Consensus LogP
-0.71
Log S (ESOL)
0.03
Class (ESOL)
Highly soluble
Log S (Ali)
0.19
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
0.33
Class (SILICOS-IT)
Highly soluble

ADME

GI absorption
Low
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)
-3.83

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

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