![CAS 2007919-46-0 trans-3-oxabicyclo[3.1.0]hexane-6-methylamine hydrochloride molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/2007919-46-0.png)
CAS RN: 2007919-46-0
trans-3-oxabicyclo[3.1.0]hexane-6-methylamine hydrochloride
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250902 | 100mg / 250mg / 500mg | Out of stock | 1 business days | Inquiry |
- Product code: starshine_CAS2007919-46-0
- Purity/Analytical Methods: >99.0%
2007919-46-0 / [(1R,5S)-3-oxabicyclo[3.1.0]hexan-6-yl]methanamine;hydrochloride
Basic Information
CAS
2007919-46-0
Multi CAS
No
Molecular Formula
C6H12ClNO
Molecular Weight
149.620000
Exact Mass
149.060742
SMILES
C1[C@@H]2[C@@H](C2CN)CO1.Cl
InChI
InChI=1S/C6H11NO.ClH/c7-1-4-5-2-8-3-6(4)5;/h4-6H,1-3,7H2;1H/t4?,5-,6+;
InChIKey
KSIVBRSOHYOUPY-DKECMWHCSA-N
Computed Properties
Structural Parameters
Heavy atom count
9
Fraction Csp3
1
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
37.59
TPSA
35.25
LogP / Solubility
WLOGP
0.26
MLOGP
0.22
XLogP3
0.26
Consensus LogP
0.25
Log S (ESOL)
-0.87
Class (ESOL)
Very soluble
Log S (Ali)
-0.97
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.97
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)
-3.45
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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