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  • (1S,2R)-(+)-2-AMINOCYCLOHEXANECARBOXYLIC ACID HYDROCHLORIDE
Name:(1S,2R)-(+)-2-AMINOCYCLOHEXANECARBOXYLIC ACID HYDROCHLORIDE
CAS No:158414-45-0

PRODUCT DESCRIPTION

【Name】
(1S,2R)-(+)-2-AMINOCYCLOHEXANECARBOXYLIC ACID HYDROCHLORIDE
【Iupac name】
(1S,2R)-2-azaniumylcyclohexane-1-carboxylate
【CAS Registry number】
158414-45-0
【Synonyms】
(1S,2R)-CIS-2-AMINO-1-CYCLOHEXANE-CARBOXYLIC ACID HYDROCHLORIDE
(1S,2R)-(+)-2-AMINOCYCLOHEXANECARBOXYLIC ACID HYDROCHLORIDE
【Molecular Formula】
C7H14ClNO2 (Products with the same molecular formula)
【Molecular Weight】
143.1836
【Inchi】
InChI=1/C7H13NO2/c8-6-4-2-1-3-5(6)7(9)10/h5-6H,1-4,8H2,(H,9,10)/t5-,6+/m0/s1
【Canonical SMILES】
C1CCC(C(C1)C(=O)[O-])[NH3+]
【Isomers smiles】
C1CC[C@H]([C@H](C1)C(=O)[O-])[NH3+]
【MOL File】
158414-45-0.mol

Chemical and Physical Properties

【Density】
1.133g/cm3
【Melting Point】
233℃
【Boiling Point】
280°C at 760 mmHg
【Vapour】
0.00103mmHg at 25°C
【Refractive Index】
1.503
【Flash Point】
123.1°C
【Computed Properties】
Molecular Weight:143.18362 [g/mol]
Molecular Formula:C7H13NO2
XLogP3-AA:-0.8
H-Bond Donor:1
H-Bond Acceptor:2
Rotatable Bond Count:0
Exact Mass:143.094629
MonoIsotopic Mass:143.094629
Topological Polar Surface Area:67.8
Heavy Atom Count:10
Formal Charge:0
Complexity:130
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:4

Safety and Handling

【Hazard Codes】
 C:Corrosive;
【Risk Statements】
R34
【Safety Statements 】
S26;S36/37/39;S45
【Safety】
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.;S36/37/39:Wear suitable protective clothing, gloves and eye/face protection.;S45:In case of accident of if you feel unwell, seek medical advice immediately (show the label where possible).

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