CAS RN: 471-29-4
methylguanidine
Product Availability
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3 package records3 with current stock1 grade group
- Product code: LINM931218
471-29-4 / 2-methylguanidine
Basic Information
CAS
471-29-4
Multi CAS
Yes
Molecular Formula
C2H7N3
Molecular Weight
73.100000
Exact Mass
73.063997
InChI
InChI=1S/C2H7N3/c1-5-2(3)4/h1H3,(H4,3,4,5)
InChIKey
CHJJGSNFBQVOTG-UHFFFAOYSA-N
Physical Properties
Physical Description
Colorless deliquescent solid; [Merck Index]
Solid
State
Solid
Computed Properties
Structural Parameters
Heavy atom count
5
Fraction Csp3
0.5
H-bond acceptors
1
H-bond donors
2
Molar refractivity
21.73
TPSA
64.4
LogP / Solubility
WLOGP
-1.11
MLOGP
-0.99
XLogP3
-1.3
Consensus LogP
-1.13
Log S (ESOL)
0.41
Class (ESOL)
Highly soluble
Log S (Ali)
0.64
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
0.79
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)
-3.95
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
