CAS Registry Number: 100202-39-9
(Component: 343238-58-4)

Name:

3-​Azetidinecarboxylic acid, methyl ester, hydrochloride (1:1)
3-​Azetidinecarboxylic acid, methyl ester, hydrochloride (9CI); Azetidine-​3-​carboxylate methyl ester hydrochloride; Methyl azetidine-​3-​carboxylate hydrochloride 

Deleted CAS Registry Numbers: 109620-​88-​4

Chemical Formula: C5H10ClNO2
Exact Mass: 151.04
Molecular Weight: 151.59
m/z: 151.04 (100.0%), 153.04 (32.4%), 152.04 (5.9%), 154.04 (1.8%)
Elemental Analysis: C, 39.62; H, 6.65; Cl, 23.39; N, 9.24; O, 21.11

InChI: InChI=1S/C5H9NO2.ClH/c1-8-5(7)4-2-6-3-4;/h4,6H,2-3H2,1H3;1H
InChIKey: UOCWTLBPYROHEF-UHFFFAOYSA-N
Canonical SMILES : COC(=O)C1CNC1.Cl

Specification

98%

1. (1) Faust, Mark R.; European Journal of Medicinal Chemistry 2010, V45(6), P2453-2466 CAPLUS
2. (2) Lanman, Brian A.; ACS Medicinal Chemistry Letters 2011, V2(2), P102-106 CAPLUS
3. (3) Boyd, Steven A.; WO 2005016883 A2 2005 CAPLUS
4. (4) Cee, Victor J.; ACS Medicinal Chemistry Letters 2011, V2(2), P107-112 CAPLUS