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CAS 4874-18-4 3-amino-N-methylpropanamide molecular structure lightbox
CAS RN: 4874-18-4

3-amino-N-methylpropanamide

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Batchno.20250327 100mg / 250mg / 500mg / 1g / 5g Confirm by inquiry Shanghai Inquiry
  • Product code: starshine_CAS4874-18-4
  • Purity/Analytical Methods: >99.0%
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4874-18-4 / 3-amino-N-methylpropanamide

Standard CAS: 4874-18-4 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
4874-18-4
Multi CAS
Yes
Molecular Formula
C4H10N2O
Molecular Weight
102.140000
Exact Mass
102.079313
InChI
InChI=1S/C4H10N2O/c1-6-4(7)2-3-5/h2-3,5H2,1H3,(H,6,7)
InChIKey
BFJOJIJWHRDGQO-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
7
Fraction Csp3
0.75
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
2
Molar refractivity
27.74
TPSA
55.12

LogP / Solubility

WLOGP
-0.92
MLOGP
-0.82
XLogP3
-1.5
Consensus LogP
-1.08
Log S (ESOL)
0.24
Class (ESOL)
Highly soluble
Log S (Ali)
0.27
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
0.2
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)
-4

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5

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