CAS RN: 754129-80-1
3-Pyridinemethanamine,5-amino-(9CI)
Product Availability
Choose a grade to view its available package options.
2 package records2 with current stock1 grade group
- Product code: starshine_CAS754129-80-1
- Purity/Analytical Methods: >99.0%
754129-80-1 / 5-(aminomethyl)pyridin-3-amine
Basic Information
CAS
754129-80-1
Multi CAS
No
Molecular Formula
C6H9N3
Molecular Weight
123.160000
Exact Mass
123.079647
InChI
InChI=1S/C6H9N3/c7-2-5-1-6(8)4-9-3-5/h1,3-4H,2,7-8H2
InChIKey
CTFJYLZAHUEGGO-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
9
Aromatic heavy atom count
6
Fraction Csp3
0.17
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
2
Molar refractivity
36.54
TPSA
64.93
LogP / Solubility
WLOGP
0.12
MLOGP
0.1
XLogP3
-1
Consensus LogP
-0.26
Log S (ESOL)
-1.11
Class (ESOL)
Soluble
Log S (Ali)
-0.66
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.68
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)
-3.38
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
Customers Also Viewed
-
-
1H-Imidazole-1-aceticacid,alpha-methyl-,(R)-(9CI)
- CAS RN: 754145-95-4
- Product Code: SSC-184864
-
3H-Indole,6-chloro-(9CI)
- CAS RN: 754156-53-1
- Product Code: starshine_CAS754156-53-1
- Purity/Analytical method: >99.0%
-
-
-
S-benzyl 2-aminoethanethioate hydrochloride
- CAS RN: 754172-97-9
- Product Code: starshine_CAS754172-97-9
- Purity/Analytical method: >99.0%
