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CAS 1055268-75-1 2-(AZETIDIN-1-YL)ACETIC ACID HYDROCHLORIDE molecular structure lightbox
CAS RN: 1055268-75-1

2-(AZETIDIN-1-YL)ACETIC ACID HYDROCHLORIDE

  • Product code: SSC-007246
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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
  • 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 1055268-75-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Shenzhen Inquiry

1055268-75-1 / 2-(azetidin-1-yl)acetic acid;hydrochloride

2-(azetidin-1-yl)acetic acid hydrochloride | RefChem:459640 | 820-087-6

Standard CAS: 1055268-75-1 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1055268-75-1
Multi CAS
No
Molecular Formula
C5H10ClNO2
Molecular Weight
151.590000
Exact Mass
151.040006
SMILES
C1CN(C1)CC(=O)O.Cl
InChI
InChI=1S/C5H9NO2.ClH/c7-5(8)4-6-2-1-3-6;/h1-4H2,(H,7,8);1H
InChIKey
RWYVWHBGLMOSJB-UHFFFAOYSA-N
Synonyms
2-(azetidin-1-yl)acetic acid hydrochloride RefChem:459640 820-087-6 2-(azetidin-1-yl)acetic acid;hydrochloride 2-(AZETIDIN-1-YL)ACETIC ACID HCL

Computed Properties

Structural Parameters

Heavy atom count
9
Fraction Csp3
0.8
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
1
Molar refractivity
35.94
TPSA
40.54

LogP / Solubility

WLOGP
0.2
MLOGP
0.17
XLogP3
0.2
Consensus LogP
0.19
Log S (ESOL)
-0.77
Class (ESOL)
Very soluble
Log S (Ali)
-0.95
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-1.05
Class (SILICOS-IT)
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)
-3.5

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
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

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