(1r,4r)-1-(aminomethyl)-3-(hydroxymethyl)-2-oxabicyclo[2.1.1]hexane-4-carboxylic acid hydrochloride
Structure Info
- Chemspace ID
- CSSB06741647054 (In-Stock Building Blocks)
- CAS
- 2757999-88-3
- MFCD
- MFCD34600477, MFCD36945322
- IUPAC Name
- (1r,4r)-1-(aminomethyl)-3-(hydroxymethyl)-2-oxabicyclo[2.1.1]hexane-4-carboxylic acid hydrochloride
- Mol formula
- C8H14ClNO4
- Mol weight
- 224 Da
- Catalog Number(s)
- AR028GEF, BBLS06741647054, BL52635, EN300-39870344, ST028H67, TX028GV3, bbls06741647054
- Copy structure to query editor
- SMILES
- INCHI
- INCHI key
- MOL
Properties
- LogP
- -3.72
- Heavy atoms count
- 14
- Rotatable bond count
- 3
- Number of rings
- 2
- Carbon bond saturation, Fsp3
- 0.875
- Polar surface area (Å)
- 93
- Hydrogen bond acceptors count
- 5
- Hydrogen bond donors count
- 3
![Chemical structure of (1r,4r)-1-(aminomethyl)-3-(hydroxymethyl)-2-oxabicyclo[2.1.1]hexane-4-carboxylic acid hydrochloride (C8H14ClNO4) - CSSB06741647054](/st/structure/200/e0a8f2e96bc6da39c016068c87dec904/Cl.NC%255BC%2540%255D1%2528C%255BC%2540%255D2%2528C1%2529C%2528%253DO%2529O%2529OC2CO.png "C8H14ClNO4")
- Zoom the structure
- CSSB06741647054
Items Overall 14 items from 2 suppliers
| Supplier | Lead time | Ships from | Purity | Pack | Price, $ | Qty |
|---|---|---|---|---|---|---|
| 1st Scientific LLC | 7 days | United States To: | 95 | 50 mg | 816.20 | |
| 1st Scientific LLC | 7 days | United States To: | 95 | 100 mg | 1,048.30 | |
| 1st Scientific LLC | 7 days | United States To: | 95 | 250 mg | 1,471.80 | |
| 1st Scientific LLC | 7 days | United States To: | 95 | 500 mg | 2,289.10 | |
| 1st Scientific LLC | 7 days | United States To: | 95 | 1 g | 2,919.40 | |
| 1st Scientific LLC | 7 days | United States To: | 95 | 2.5 g | 5,670.50 | |
Description: 1-(aminomethyl)-3-(hydroxymethyl)-2-oxabicyclo[2.1.1]hexane-4-carboxylic acid hydrochloride; CAS: 2757999-88-3 | ||||||
| Enamine Ltd. | 15 days | Ukraine To: | 95 | 50 mg | 658.00 | |
| Enamine Ltd. | 15 days | Ukraine To: | 95 | 100 mg | 859.00 | |
| Enamine Ltd. | 15 days | Ukraine To: | 95 | 250 mg | 1,225.00 | |
| Enamine Ltd. | 15 days | Ukraine To: | 95 | 500 mg | 1,931.00 | |
| Enamine Ltd. | 15 days | Ukraine To: | 95 | 1 g | 2,475.00 | |
| Enamine Ltd. | 15 days | Ukraine To: | 95 | 2.5 g | 4,851.00 | |
| Enamine Ltd. | 15 days | Ukraine To: | 95 | 5 g | 7,178.00 | |
| Enamine Ltd. | 15 days | Ukraine To: | 95 | 10 g | 10,643.00 | |
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Substructure Analogs
![Chemical structure of (1r,4r)-4-(aminomethyl)-3-oxaspiro[bicyclo[2.1.1]hexane-2,3'-oxetane]-1-carboxylic acid hydrochloride - CSSB06446546600](/st/structure/200/0f75c2557e0fdff13189a7de19ea2857/Cl.NC%255BC%2540%2540%255D12C%255BC%2540%255D%2528C1%2529%2528C%2528O%2529%253DO%2529C1%2528COC1%2529O2.png)
![Chemical structure of ethyl (1r,4r)-4-(aminomethyl)-3-oxaspiro[bicyclo[2.1.1]hexane-2,3'-oxetane]-1-carboxylate hydrochloride - CSSB06446546015](/st/structure/200/1acb6446bfcf936c4373df37e685f673/Cl.CCOC%2528%253DO%2529%255BC%2540%255D12C%255BC%2540%255D%2528CN%2529%2528C1%2529OC21COC1.png)
Similarity Analogs
![Chemical structure of 1-(aminomethyl)-3-(hydroxymethyl)-2-oxabicyclo[2.1.1]hexane-4-carboxylic acid hydrochloride - CSSB06430523200](/st/structure/200/49b905dd92125aaffdd23f310ea042ca/Cl.NCC12CC%2528C1%2529%2528C%2528CO%2529O2%2529C%2528O%2529%253DO.png)
![Chemical structure of 1-(aminomethyl)-3-methyl-2-oxabicyclo[2.1.1]hexane-4-carboxylic acid hydrochloride - CSSB00102955680](/st/structure/200/3a828da31acad40dbde8dd8604218892/Cl.CC1OC2%2528CN%2529CC1%2528C2%2529C%2528O%2529%253DO.png)
![Chemical structure of (1r,4r)-1-(aminomethyl)-3-methyl-2-oxabicyclo[2.1.1]hexane-4-carboxylic acid hydrochloride - CSSB06741647006](/st/structure/200/e74cc9e1294b772a027a61ccaaa977b0/Cl.CC1O%255BC%2540%255D2%2528CN%2529C%255BC%2540%255D1%2528C2%2529C%2528%253DO%2529O.png)
![Chemical structure of (1r,4r)-1-(aminomethyl)-3-(trifluoromethyl)-2-oxabicyclo[2.1.1]hexane-4-carboxylic acid hydrochloride - CSSB21291566006](/st/structure/200/7a5fcb8ff0cd5961b670123a32434269/Cl.NC%255BC%2540%2540%255D12C%255BC%2540%2540%255D%2528C1%2529%2528C%2528O2%2529C%2528F%2529%2528F%2529F%2529C%2528O%2529%253DO.png)
![Chemical structure of 1-(aminomethyl)-3-(trifluoromethyl)-2-oxabicyclo[2.1.1]hexane-4-carboxylic acid hydrochloride - CSSB21043406592](/st/structure/200/10b4df174bdb4b3de6157b07dd9f8676/Cl.NCC12CC%2528C1%2529%2528C%2528O2%2529C%2528F%2529%2528F%2529F%2529C%2528O%2529%253DO.png)
![Chemical structure of 3-(aminomethyl)-1-methyl-2-oxabicyclo[2.1.1]hexane-4-carboxylic acid hydrochloride - CSSB03624766709](/st/structure/200/a7950ae6862c73c35124b0bbeb7318e1/Cl.CC12CC%2528C1%2529%2528C%2528CN%2529O2%2529C%2528O%2529%253DO.png)
![Chemical structure of (1r,4s)-3-(aminomethyl)-1-methyl-2-oxabicyclo[2.1.1]hexane-4-carboxylic acid hydrochloride - CSSB06741646987](/st/structure/200/ef6625a1397b6ab073bc763f8e9a0ca3/Cl.C%255BC%2540%255D1%2528C%255BC%2540%255D2%2528C1%2529C%2528%253DO%2529O%2529OC2CN.png)
