Cas no 522644-04-8 ((1R,2S)-2-AMINO-CYCLOOCTANECARBOXYLIC ACID)
522644-04-8 structure
Product Name:(1R,2S)-2-AMINO-CYCLOOCTANECARBOXYLIC ACID
CAS No:522644-04-8
MF:C9H17NO2
MW:171.23678278923
CID:1576667
PubChem ID:16211083
Update Time:2025-04-21
(1R,2S)-2-AMINO-CYCLOOCTANECARBOXYLIC ACID Chemical and Physical Properties
Names and Identifiers
-
- (1R,2S)-2-AMINO-CYCLOOCTANECARBOXYLIC ACID
- cis-2-Amino-cyclooctanecarboxylic acid
- starbld0024786
- 649765-17-3
- cis-2-aminocyclooctanecarboxylic acid
- SCHEMBL4490114
- (1R,2S)-2-AMINOCYCLOOCTANE-1-CARBOXYLIC ACID
- MFCD08437545
- 522644-04-8
- (1R,2S)-2-Aminocyclooctanecarboxylic acid
- DB-289656
- RNDBJXMOBPVFAS-SFYZADRCSA-N
-
- Inchi： 1S/C9H17NO2/c10-8-6-4-2-1-3-5-7(8)9(11)12/h7-8H,1-6,10H2,(H,11,12)/t7-,8+/m1/s1
- InChI Key： RNDBJXMOBPVFAS-SFYZADRCSA-N
- SMILES： OC([C@@H]1CCCCCC[C@@H]1N)=O
Computed Properties
- Exact Mass: 171.12600
- Monoisotopic Mass: 171.126
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 12
- Rotatable Bond Count: 1
- Complexity: 159
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 2
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 63.3A^2
- XLogP3: -0.4
Experimental Properties
- Density: 1.058
- Boiling Point: 312.2°C at 760 mmHg
- Flash Point: 142.6°C
- Refractive Index: 1.487
- PSA: 63.32000
- LogP: 2.06900
(1R,2S)-2-AMINO-CYCLOOCTANECARBOXYLIC ACID Related Literature
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Jason Wan Lab Chip, 2020,20, 4528-4538
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Xing Zhao,Lu Bai,Rui-Ying Bao,Zheng-Ying Liu,Ming-Bo Yang,Wei Yang RSC Adv., 2017,7, 46297-46305
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Craig A. Kelly,David R. Rosseinsky Phys. Chem. Chem. Phys., 2001,3, 2086-2090
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Ziyang Deng,Changwei Chen,Sunliang Cui RSC Adv., 2016,6, 93753-93755
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