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CAS 1170108-38-9 3-BOC-AMINOMETHYL-AZETIDINE HYDROCHLORIDE molecular structure lightbox
CAS RN: 1170108-38-9

3-BOC-AMINOMETHYL-AZETIDINE HYDROCHLORIDE

Product Availability

Choose a grade to view its available package options.

6 package records5 with current stock3 grade groups
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250322 1g In stock Inquiry
Batchno.20260425 250mg In stock Inquiry
Batchno.20251117 500mg In stock Inquiry
Batchno.20250105 5g In stock Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250324 1g / 5g / 25g Confirm by inquiry Shanghai 8-10 business days Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250318 1g / 5g Out of stock 5-7 business days Inquiry
  • Product code: SSC-016854
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 1g, 5g, 10g, 25g
  • Available purity: >97%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 1170108-38-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g >97% 0 Out of Stock Beijing Inquiry
5g >97% 0 Out of Stock Hong Kong Inquiry
10g >97% 0 Out of Stock Beijing Inquiry
25g >97% 0 Out of Stock Shenzhen Inquiry

1170108-38-9 / tert-butyl N-(azetidin-3-ylmethyl)carbamate;hydrochloride

tert-butyl N-(azetidin-3-ylmethyl)carbamate hydrochloride | RefChem:896351 | 868-957-4

Standard CAS: 1170108-38-9 Multi CAS: Yes
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1170108-38-9
Multi CAS
Yes
Molecular Formula
C9H19ClN2O2
Molecular Weight
222.710000
Exact Mass
222.113506
SMILES
CC(C)(C)OC(=O)NCC1CNC1.Cl
InChI
InChI=1S/C9H18N2O2.ClH/c1-9(2,3)13-8(12)11-6-7-4-10-5-7;/h7,10H,4-6H2,1-3H3,(H,11,12);1H
InChIKey
FLSTVGQJEDAWCH-UHFFFAOYSA-N
Synonyms
tert-butyl N-(azetidin-3-ylmethyl)carbamate hydrochloride RefChem:896351 868-957-4 tert-Butyl (azetidin-3-ylmethyl)carbamate hydrochloride 3-BOC-AMINOmethylazetidinE hydrochloride

Computed Properties

Structural Parameters

Heavy atom count
14
Fraction Csp3
0.89
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
2
Molar refractivity
57.84
TPSA
50.36

LogP / Solubility

WLOGP
1.15
MLOGP
1.02
XLogP3
1.15
Consensus LogP
1.11
Log S (ESOL)
-1.81
Class (ESOL)
Soluble
Log S (Ali)
-2.22
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.3
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)
-3.26

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
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] 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, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

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