![CAS 1194375-85-3 2-benzyl-2,6-diazaspiro[3.3]heptane hydrochloride molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1194375-85-3.gif)
CAS RN: 1194375-85-3
2-benzyl-2,6-diazaspiro[3.3]heptane 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.20250713 | 100mg / 250mg / 500mg | Out of stock | 1 business days | Inquiry |
- Product code: starshine_CAS1194375-85-3
- Purity/Analytical Methods: >99.0%
1194375-85-3 / 2-benzyl-2,6-diazaspiro[3.3]heptane;hydrochloride
2-benzyl-2,6-diazaspiro[3.3]heptane hydrochloride | 2-benzyl-2,6-diazaspiro[3.3]heptane;hydrochloride | MFCD21603632
Basic Information
CAS
1194375-85-3
Multi CAS
Yes
Molecular Formula
C12H17ClN2
Molecular Weight
224.730000
Exact Mass
224.108026
SMILES
C1C2(CN1)CN(C2)CC3=CC=CC=C3.Cl
InChI
InChI=1S/C12H16N2.2ClH/c1-2-4-11(5-3-1)6-14-9-12(10-14)7-13-8-12;;/h1-5,13H,6-10H2;2*1H
InChIKey
DCJWFGZXHGFLGJ-UHFFFAOYSA-N
Synonyms
2-benzyl-2,6-diazaspiro[3.3]heptane hydrochloride
2-benzyl-2,6-diazaspiro[3.3]heptane;hydrochloride
MFCD21603632
2-BENZYL-2,6-DIAZASPIRO[3.3]HEPTANE 2HCL
DTXSID90726247
Computed Properties
Structural Parameters
Heavy atom count
15
Aromatic heavy atom count
6
Fraction Csp3
0.5
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
1
Molar refractivity
64.27
TPSA
15.27
LogP / Solubility
WLOGP
1.51
MLOGP
1.33
XLogP3
1.51
Consensus LogP
1.45
Log S (ESOL)
-2.35
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.5
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.62
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)
-3.02
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
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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![CAS 1194376-44-7 tert-butyl 6-oxo-2,7-diazaspiro[4.4]nonane-2-carboxylate molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1194376-44-7.gif)
