Methyl 5-amino-5,6,7,8-tetrahydronaphthalene-2-carboxylate
Basic information
- CAS
361369-87-1- Standard SMILES
COC(=O)c1ccc2c(c1)CCCC2N- InChIKey
PBMWFDPFLABNFP-UHFFFAOYSA-N- Molecular formula
- C12H15NO2
- Average molar mass
- 205.25 g/mol
- Monoisotopic mass
- 205.11027872
Names & identifiers
- Preferred name
- Methyl 5-amino-5,6,7,8-tetrahydronaphthalene-2-carboxylate
- IUPAC
- methyl 5-amino-5,6,7,8-tetrahydronaphthalene-2-carboxylate
- English name
- 2-Naphthalenecarboxylicacid,5-amino-5,6,7,8-tetrahydro-,methylester(9CI)
- Molecular formula
- C12H15NO2
- Molecular weight
- 205.25
Names & synonyms
methyl 5-amino-5,6,7,8-tetrahydronaphthalene-2-carboxylate361369-87-1MFCD20463805(S)-methyl 5-amino-5,6,7,8-tetrahydronaphthalene-2-carboxylateSCHEMBL5956791methyl 1-aminotetralin-6-carboxylateSB78133SB78636EN300-1722512methyl5-amino-5,6,7,8-tetrahydronaphthalene-2-carboxylateMethyl 5-amino-5,6,7,8-tetrahydro-2-naphthalenecarboxylate2-Naphthalenecarboxylic acid, 5-amino-5,6,7,8-tetrahydro-, methyl ester
Show more names
2-Naphthalenecarboxylicacid,5-amino-5,6,7,8-tetrahydro-,methylester(9CI)
Database identifiers
- CAS
361369-87-1- PubChem CID
- 20824475
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 52.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 242
Physicochemical properties
- Boiling point
- 345.4 · 345.4±42.0 °C(Predicted)
- Density
- 1.129 · 1.129±0.06 g/cm3(Predicted)
- pka
- 8.98 · 8.98±0.20(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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