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  • Cyclohexanecarboxylicacid, 2-amino-, (1R,2R)
Name:Cyclohexanecarboxylicacid, 2-amino-, (1R,2R)
CAS No:26685-83-6

PRODUCT DESCRIPTION

【Name】
Cyclohexanecarboxylicacid, 2-amino-, (1R,2R)-
【Iupac name】
(1R,2R)-2-aminocyclohexane-1-carboxylic acid
【CAS Registry number】
26685-83-6
【Synonyms】
Cyclohexanecarboxylicacid, 2-amino-, (1R,2R)-(-)- (8CI)
Cyclohexanecarboxylic acid, 2-amino-,(1R-trans)-
trans-(1R,2R)-2-Aminocyclohexane-1-carboxylic acid
trans-(1R,2R)-2-Aminocyclohexanecarboxylic acid
【Molecular Formula】
C7H13 N O2 (Products with the same molecular formula)
【Molecular Weight】
143.18
【Inchi】
InChI=1S/C7H13NO2/c8-6-4-2-1-3-5(6)7(9)10/h5-6H,1-4,8H2,(H,9,10)/t5-,6-/m1/s1
【Canonical SMILES】
C1CCC(C(C1)C(=O)O)N
【Isomers smiles】
C1CC[C@H]([C@@H](C1)C(=O)O)N
【MOL File】
26685-83-6.mol

Chemical and Physical Properties

【Density】
1.133 g/cm3
【Melting Point】
0°C
【Boiling Point】
0°C
【Vapour】
0.00103mmHg at 25°C
【Refractive Index】
-76.5 ° (C=1, H2O)
【Flash Point】
0°C
【Computed Properties】
Molecular Weight:143.18362 [g/mol]
Molecular Formula:C7H13NO2
XLogP3-AA:-1.5
H-Bond Donor:2
H-Bond Acceptor:3
Rotatable Bond Count:1
Exact Mass:143.094629
MonoIsotopic Mass:143.094629
Topological Polar Surface Area:63.3
Heavy Atom Count:10
Formal Charge:0
Complexity:136
Isotope Atom Count:0
Defined Atom Stereocenter Count:2
Undefined Atom Stereocenter Count:0
Defined Bond Stereocenter Count:0
Undefined Bond Stereocenter Count:0
Covalently-Bonded Unit Count:1
Feature 3D Acceptor Count:2
Feature 3D Donor Count:1
Feature 3D Anion Count:1
Feature 3D Cation Count:1
Feature 3D Ring Count:1
Effective Rotor Count:2.2
Conformer Sampling RMSD:0.4
CID Conformer Count:14

Safety and Handling

【Risk Statements】
36/37/38
【Safety Statements 】
26-36/37/39

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