1-Aminodecahydronaphthalene-1-carboxylic acid

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Basic information

CAS: 18672-75-8
Standard SMILES: NC1(C(=O)O)CCCC2CCCCC21
InChIKey: OYOLNPDLMYVECC-UHFFFAOYSA-N
Molecular formula: C11H19NO2
Average molar mass: 197.27 g/mol
Monoisotopic mass: 197.14157885

Names & identifiers

Preferred name: 1-Aminodecahydronaphthalene-1-carboxylic acid
IUPAC: 1-amino-3,4,4a,5,6,7,8,8a-octahydro-2H-naphthalene-1-carboxylic acid
English name: 1-AMINO-DECAHYDRO-1-NAPHTHALENECARBOXYLIC ACID
Molecular formula: C11H19NO2
Molecular weight: 197.27

Names & synonyms

18672-75-81-Aminodecahydronaphthalene-1-carboxylic acid1-amino-3,4,4a,5,6,7,8,8a-octahydro-2H-naphthalene-1-carboxylic acidNSC 1807111-AMINO-DECAHYDRO-1-NAPHTHALENECARBOXYLIC ACIDNSC180711SCHEMBL28686657DTXSID90306866AKOS006287760NSC-1807111-Naphthalenecarboxylicacid,1-aminodecahydro-

Database identifiers

CAS: 18672-75-8
PubChem CID: 301894
DTXSID: DTXSID90306866

Properties

Computed structural properties

XLogP: -0.2
Topological polar surface area: 63.3 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 3
Rotatable bonds: 1
Heavy atoms: 14
Formal charge: 0
Complexity: 241

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Compound notes

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