![CAS 1414958-13-6 6-AMino-2-aza-spiro[3.3]heptane-2-carboxylic acid tert-butyl ester hydrochloride molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1414958-13-6.gif)
CAS RN: 1414958-13-6
6-AMino-2-aza-spiro[3.3]heptane-2-carboxylic acid tert-butyl ester hydrochloride
Product Availability
Choose a grade to view its available package options.
5 package records4 with current stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20251111 | 50mg / 1g | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS1414958-13-6
- Purity/Analytical Methods: >99.0%
1414958-13-6 / tert-butyl 6-amino-2-azaspiro[3.3]heptane-2-carboxylate;hydrochloride
Basic Information
CAS
1414958-13-6
Multi CAS
No
Molecular Formula
C11H21ClN2O2
Molecular Weight
248.750000
Exact Mass
248.129156
SMILES
CC(C)(C)OC(=O)N1CC2(C1)CC(C2)N.Cl
InChI
InChI=1S/C11H20N2O2.ClH/c1-10(2,3)15-9(14)13-6-11(7-13)4-8(12)5-11;/h8H,4-7,12H2,1-3H3;1H
InChIKey
CSFXHBHICSYCIJ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
16
Fraction Csp3
0.91
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
64.7
TPSA
55.56
LogP / Solubility
WLOGP
1.77
MLOGP
1.56
XLogP3
1.77
Consensus LogP
1.7
Log S (ESOL)
-2.5
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.88
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.74
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)
-2.98
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
Customers Also Viewed
-
![CAS 1414958-33-0 6-Oxa-3-azabicyclo[3.1.1]heptane hydrochloride molecular structure](data:image/svg+xml,%3Csvg%20xmlns='http://www.w3.org/2000/svg'%20viewBox='0%200%200%200'%3E%3C/svg%3E)
6-Oxa-3-azabicyclo[3.1.1]heptane hydrochloride
- CAS RN: 1414958-33-0
- Product Code: SSC-051787
-
1-(5-Fluoro-pyrimidin-2-yl)-ethylamine hydrochloride
- CAS RN: 1414958-45-4
- Product Code: SSC-051788
-
3-Bromo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine hydrobromide
- CAS RN: 1414958-47-6
- Product Code: starshine_CAS1414958-47-6
- Purity/Analytical method: >99.0%
-
(6-Bromo-indan-1-yl)-carbamic acid tert-butyl ester
- CAS RN: 1414958-70-5
- Product Code: SSC-051789
-
1-oxa-9-azaspiro[5.5]undecane Hydrochloride
- CAS RN: 1414958-73-8
- Product Code: SSC-051790
-
![CAS 1414958-33-0 6-Oxa-3-azabicyclo[3.1.1]heptane hydrochloride molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1414958-33-0(1).gif)
![CAS 1414958-47-6 3-Bromo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine hydrobromide molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1414958-47-6.gif)
![CAS 1414958-73-8 1-oxa-9-azaspiro[5.5]undecane Hydrochloride molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1414958-73-8.gif)
![CAS 1414958-74-9 3-Aza-bicyclo[4.1.0]heptane hydrochloride molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1414958-74-9.gif)