Cas no 1989638-29-0 ((1S,4R,5R)-5-Methyl-2-azabicyclo[2.1.1]hexane-1-carboxylic acid;hydrochloride)
![(1S,4R,5R)-5-Methyl-2-azabicyclo[2.1.1]hexane-1-carboxylic acid;hydrochloride structure](https://ossimg.kuujia.com/scimg/1990000/1989638-29-0x500.png)
1989638-29-0 structure
Product Name:(1S,4R,5R)-5-Methyl-2-azabicyclo[2.1.1]hexane-1-carboxylic acid;hydrochloride
CAS No:1989638-29-0
MF:C7H12ClNO2
MW:177.628681182861
CID:4632853
Update Time:2023-08-10
(1S,4R,5R)-5-Methyl-2-azabicyclo[2.1.1]hexane-1-carboxylic acid;hydrochloride Chemical and Physical Properties
Names and Identifiers
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- rac-(1R,4S,5S)-5-methyl-2-azabicyclo[2.1.1]hexane-1-carboxylic acid hydrochloride, endo
- (1S,4R,5R)-5-Methyl-2-azabicyclo[2.1.1]hexane-1-carboxylic acid;hydrochloride
- Rac-(1R,4S,5S)-5-methyl-2-azabicyclo[2.1.1]hexane-1-carboxylic acid hydrochloride
-
- Inchi： 1S/C7H11NO2.ClH/c1-4-5-2-7(4,6(9)10)8-3-5;/h4-5,8H,2-3H2,1H3,(H,9,10);1H/t4-,5+,7+;/m1./s1
- InChI Key： KGMCAYXEPHCFKU-QXRFUWKISA-N
- SMILES： Cl.OC([C@@]12C[C@@H](CN1)[C@H]2C)=O
Computed Properties
- Hydrogen Bond Donor Count: 3
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 11
- Rotatable Bond Count: 1
- Complexity: 192
- Topological Polar Surface Area: 49.3
(1S,4R,5R)-5-Methyl-2-azabicyclo[2.1.1]hexane-1-carboxylic acid;hydrochloride Related Literature
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Inês S. Albuquerque,Hélia F. Jeremias,Miguel Chaves-Ferreira,Dijana Matak-Vinkovic,Omar Boutureira,Carlos C. Rom?o Chem. Commun., 2015,51, 3993-3996
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Bo Cao,Yin Wei Chem. Commun., 2018,54, 2870-2873
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Huiying Xu,Lu Zheng,Yu Zhou,Bang-Ce Ye Analyst, 2021,146, 5542-5549
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