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methyl (1S,3S)-3-aminocyclohexane-1-carboxylate hydrochloride

methyl (1S,3S)-3-aminocyclohexane-1-carboxylate hydrochloride

CAS: 1461718-75-1

Formula: C8H16ClNO2

SMILES: Cl.COC(=O)[C@H]1CCC[C@H](N)C1

IUPAC: methyl (1S,3S)-3-aminocyclohexane-1-carboxylate hydrochloride

InChI: InChI=1S/C8H15NO2.ClH/c1-11-8(10)6-3-2-4-7(9)5-6;/h6-7H,2-5,9H2,1H3;1H/t6-,7-;/m0./s1

Composition: C (49.61%), H (8.33%), Cl (18.30%), N (7.23%), O (16.52%)

Molar Mass: 193.67

Atom Count: 28

Heavy Atom Count: 12

Properties
Properties
Common Names N/A
Aromatic Ring Count 0
Asymmetric Atom Count 2
Exact Mass 193.0869565
Formal Charge 0
FSP3 0.87
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 1
InChIKey OOFXENVWECZJBF-LEUCUCNGSA-N
Lipinski's Rule of Five 1
Molar Refractivity 41.94
Topological Polar Surface Area 52.32
Polarizability 17.03
Ring Count 1
Rotatable Bond Count 2

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