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CAS 108712-07-8 N-(2-methoxyethyl)guanidine(SALTDATA: AcOH) molecular structure lightbox
CAS RN: 108712-07-8

N-(2-methoxyethyl)guanidine(SALTDATA: AcOH)

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260528 100mg / 1g Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS108712-07-8
  • Purity/Analytical Methods: >99.0%
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108712-07-8 / 2-(2-methoxyethyl)guanidine

N-(2-methoxyethyl)guanidine | 1-(2-methoxyethyl)guanidine | 2-(2-methoxyethyl)guanidine

Standard CAS: 108712-07-8 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
108712-07-8
Multi CAS
Yes
Molecular Formula
C4H11N3O
Molecular Weight
117.150000
Exact Mass
117.090212
SMILES
COCCN=C(N)N
InChI
InChI=1S/C4H11N3O/c1-8-3-2-7-4(5)6/h2-3H2,1H3,(H4,5,6,7)
InChIKey
XNPSFFSMEXSPKL-UHFFFAOYSA-N
Synonyms
N-(2-methoxyethyl)guanidine 1-(2-methoxyethyl)guanidine 2-(2-methoxyethyl)guanidine N - (2-methoxyethyl) guanidine N-(2-methoxyethyl)guanidine(SALTDATA: AcOH)

Computed Properties

Structural Parameters

Heavy atom count
8
Fraction Csp3
0.75
Rotatable bonds
3
H-bond acceptors
2
H-bond donors
2
Molar refractivity
32.55
TPSA
73.63

LogP / Solubility

WLOGP
-1.09
MLOGP
-0.97
XLogP3
-1.5
Consensus LogP
-1.19
Log S (ESOL)
0.32
Class (ESOL)
Highly soluble
Log S (Ali)
0.27
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
0.13
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)
-4.21

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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