[email protected]
CAS 1170905-43-7 3-[2-(Boc-aMino)ethyl]azetidine Hydrochloride molecular structure lightbox
CAS RN: 1170905-43-7

3-[2-(Boc-aMino)ethyl]azetidine Hydrochloride

Product Availability

Choose a grade to view its available package options.

5 package records5 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250520 100mg In stock Shanghai Inquiry
Batchno.20251120 1g In stock Shanghai, Wuhan Inquiry
Batchno.20250807 250mg In stock Shanghai, Tianjin Inquiry
Batchno.20250711 50mg In stock Shanghai Inquiry
Batchno.20250528 5g In stock Shanghai Inquiry
  • Product code: starshine_CAS1170905-43-7
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

1170905-43-7 / tert-butyl N-[2-(azetidin-3-yl)ethyl]carbamate;hydrochloride

tert-butyl N-[2-(azetidin-3-yl)ethyl]carbamate hydrochloride | tert-butyl N-(2-(azetidin-3-yl)ethyl)carbamate hydrochloride | RefChem:895546

Standard CAS: 1170905-43-7 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1170905-43-7
Multi CAS
No
Molecular Formula
C10H21ClN2O2
Molecular Weight
236.740000
Exact Mass
236.129156
SMILES
CC(C)(C)OC(=O)NCCC1CNC1.Cl
InChI
InChI=1S/C10H20N2O2.ClH/c1-10(2,3)14-9(13)12-5-4-8-6-11-7-8;/h8,11H,4-7H2,1-3H3,(H,12,13);1H
InChIKey
QIMXDYCKJPAYNW-UHFFFAOYSA-N
Synonyms
tert-butyl N-[2-(azetidin-3-yl)ethyl]carbamate hydrochloride tert-butyl N-(2-(azetidin-3-yl)ethyl)carbamate hydrochloride RefChem:895546 875-041-8 3-[2-(Boc-Amino)Ethyl]Azetidine Hydrochloride

Computed Properties

Structural Parameters

Heavy atom count
15
Fraction Csp3
0.9
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
2
Molar refractivity
62.46
TPSA
50.36

LogP / Solubility

WLOGP
1.54
MLOGP
1.36
XLogP3
1.54
Consensus LogP
1.48
Log S (ESOL)
-2.08
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.61
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.84
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)
-3.07

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5

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

Get In Touch

Contact Us