![CAS 1909337-55-8 N,N-Dimethyl-3-azabicyclo[3.1.0]-hexan-6-amine dihydrochloride molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1909337-55-8.gif)
CAS RN: 1909337-55-8
N,N-Dimethyl-3-azabicyclo[3.1.0]-hexan-6-amine dihydrochloride
Product Availability
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1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20251004 | 250mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1909337-55-8
- Purity/Analytical Methods: >99.0%
1909337-55-8 / N,N-dimethyl-3-azabicyclo[3.1.0]hexan-6-amine;dihydrochloride
Basic Information
CAS
1909337-55-8
Multi CAS
No
Molecular Formula
C7H16Cl2N2
Molecular Weight
199.120000
Exact Mass
198.069054
SMILES
CN(C)C1C2C1CNC2.Cl.Cl
InChI
InChI=1S/C7H14N2.2ClH/c1-9(2)7-5-3-8-4-6(5)7;;/h5-8H,3-4H2,1-2H3;2*1H
InChIKey
BCRZWXCOXUVNPU-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
11
Fraction Csp3
1
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
51.82
TPSA
15.27
LogP / Solubility
WLOGP
0.61
MLOGP
0.54
XLogP3
0.61
Consensus LogP
0.59
Log S (ESOL)
-1.39
Class (ESOL)
Soluble
Log S (Ali)
-1.63
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.58
Class (SILICOS-IT)
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)
-3.5
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5
Safety & Transport
Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
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