CAS RN: 3852-22-0
METHYLAMINE-15N HYDROCHLORIDE
Product Availability
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2 package records1 with current stock1 grade group
- Product code: starshine_CAS3852-22-0
- Purity/Analytical Methods: >99.0%
3852-22-0 / methanamine;hydrochloride
Basic Information
CAS
3852-22-0
Multi CAS
Yes
Molecular Formula
CH6CLN
Molecular Weight
67.520000
Exact Mass
67.018877
InChI
InChI=1S/CH5N.ClH/c1-2;/h2H2,1H3;1H
InChIKey
NQMRYBIKMRVZLB-UHFFFAOYSA-N
Physical Properties
Physical Description
Deliquescent solid; [Merck Index] White crystals with an amine-like odor; Hygroscopic
State
Solid
Computed Properties
Structural Parameters
Heavy atom count
3
Fraction Csp3
1
H-bond acceptors
1
H-bond donors
1
Molar refractivity
17.36
TPSA
26.02
LogP / Solubility
MLOGP
-0.02
Consensus LogP
-0.01
Log S (ESOL)
-0.26
Class (ESOL)
Very soluble
Log S (Ali)
-0.11
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.1
Class (SILICOS-IT)
Very soluble
ADME
GI absorption
High
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)
-3.13
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1
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