[email protected]
CAS 108640-12-6 3-METHYL-3-AZA-BICYCLO[3.2.1]OCT-8-YLAMINE molecular structure lightbox
CAS RN: 108640-12-6

3-METHYL-3-AZA-BICYCLO[3.2.1]OCT-8-YLAMINE

  • Product code: SSC-009954
GET A QUOTE
Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 0.25g
  • Available purity: ≥95%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
Request Bulk Quote

Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 108640-12-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥95% 0 Out of Stock Beijing Inquiry

108640-12-6 / 3-methyl-3-azabicyclo[3.2.1]octan-8-amine

3-methyl-3-azabicyclo[3.2.1]octan-8-amine | 3-methyl-3-aza-bicyclo[3.2.1]oct-8-ylamine | MFCD18324973

Standard CAS: 108640-12-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
108640-12-6
Multi CAS
No
Molecular Formula
C8H16N2
Molecular Weight
140.230000
Exact Mass
140.131349
SMILES
CN1CC2CCC(C1)C2N
InChI
InChI=1S/C8H16N2/c1-10-4-6-2-3-7(5-10)8(6)9/h6-8H,2-5,9H2,1H3
InChIKey
OMNZTTYSHLWCDQ-UHFFFAOYSA-N
Synonyms
3-methyl-3-azabicyclo[3.2.1]octan-8-amine 3-methyl-3-aza-bicyclo[3.2.1]oct-8-ylamine MFCD18324973 3-Azabicyclo[3.2.1]octan-8-amine, 3-methyl- syn-3-methyl-3-azabicyclo[3.2.1]octan-8-amine

Computed Properties

Structural Parameters

Heavy atom count
10
Fraction Csp3
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
41.69
TPSA
29.26

LogP / Solubility

WLOGP
0.29
MLOGP
0.24
XLogP3
0.2
Consensus LogP
0.24
Log S (ESOL)
-0.89
Class (ESOL)
Very soluble
Log S (Ali)
-0.92
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.81
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)
-3.37

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
4.5

Customers Also Viewed

Get In Touch

Contact Us