CAS RN: 2683-56-9
5-(DIMETHYLAMINO)AMYLAMINE
Product Availability
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4 package records4 with current stock1 grade group
- Product code: starshine_CAS2683-56-9
- Purity/Analytical Methods: >99.0%
2683-56-9 / 4-(diethylamino)butan-1-ol
Basic Information
CAS
2683-56-9
Multi CAS
No
Molecular Formula
C8H19NO
Molecular Weight
145.240000
Exact Mass
145.146664
SMILES
CCN(CC)CCCCO
InChI
InChI=1S/C8H19NO/c1-3-9(4-2)7-5-6-8-10/h10H,3-8H2,1-2H3
InChIKey
KHYKXDSWXWVQTA-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
10
Fraction Csp3
1
Rotatable bonds
6
H-bond acceptors
2
H-bond donors
1
Molar refractivity
44.11
TPSA
23.47
LogP / Solubility
WLOGP
1.1
MLOGP
0.96
XLogP3
1
Consensus LogP
1.02
Log S (ESOL)
-1.04
Class (ESOL)
Soluble
Log S (Ali)
-1.55
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.24
Class (SILICOS-IT)
Moderately 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)
-2.82
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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![CAS 26843-47-0 BICYCLO[2.2.2]OCTANE-2,3-DICARBOXYLIC ANHYDRIDE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/26843-47-0.gif)
