Cas no 455936-38-6 ((2S)-2-Amino-2-(1-methylcyclohexyl)acetic acid;hydrochloride)
455936-38-6 structure
Product Name:(2S)-2-Amino-2-(1-methylcyclohexyl)acetic acid;hydrochloride
CAS No:455936-38-6
MF:C9H18ClNO2
MW:207.69772195816
CID:840221
PubChem ID:57462913
Update Time:2024-02-29
(2S)-2-Amino-2-(1-methylcyclohexyl)acetic acid;hydrochloride Chemical and Physical Properties
Names and Identifiers
-
- (alphaS)-alpha-Amino-1-methylcyclohexaneacetic acid
- Cyclohexaneacetic acid, .alpha.-amino-1-methyl-, (.alpha.S)-
- Cyclohexaneacetic acid,.alpha.-amino-1-methyl-,(.alpha.S)
- XEEYKIDLWMICDJ-OGFXRTJISA-N
- OR315577
- (2s)-amino(1-methylcyclohexyl)acetic acid-hcl
- (2s)-amino(1-methylcyclohexyl)acetic acid hydrochloride
- (S)-2-Amino-2-(1-methylcyclohexyl)acetic acid hydrochloride
- (2S)-2-Amino-2-(1-methylcyclohexyl)acetic acid;hydrochloride
-
- MDL： MFCD20259681
- Inchi： 1S/C9H17NO2.ClH/c1-9(7(10)8(11)12)5-3-2-4-6-9;/h7H,2-6,10H2,1H3,(H,11,12);1H/t7-;/m1./s1
- InChI Key： XEEYKIDLWMICDJ-OGFXRTJISA-N
- SMILES： Cl.OC([C@H](C1(C)CCCCC1)N)=O
Computed Properties
- Exact Mass: 171.125928785g/mol
- Monoisotopic Mass: 171.125928785g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 3
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 13
- Rotatable Bond Count: 2
- Complexity: 173
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 1
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 63.3
- XLogP3: -0.6
Experimental Properties
- Density: 1.078
- Boiling Point: 291 oC
- Flash Point: 130 oC
(2S)-2-Amino-2-(1-methylcyclohexyl)acetic acid;hydrochloride Related Literature
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Jason Wan Lab Chip, 2020,20, 4528-4538
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Ji-Ping Wei Nanoscale, 2015,7, 11815-11832
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Gaurav J. Shah,Eric P.-Y. Chiou,Ming C. Wu,Chang-Jin “CJ” Kim Lab Chip, 2009,9, 1732-1739
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Olga Guselnikova,Gérard Audran,Jean-Patrick Joly,Andrii Trelin,Evgeny V. Tretyakov,Vaclav Svorcik,Oleksiy Lyutakov,Sylvain R. A. Marque Chem. Sci., 2021,12, 4154-4161
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Vishwesh Venkatraman,Marco Foscato,Vidar R. Jensen,Bj?rn K?re Alsberg J. Mater. Chem. A, 2015,3, 9851-9860
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