Methyl 8-amino-5,6,7,8-tetrahydronaphthalene-2-carboxylate

Substructure search Find similar structures

Basic information

CAS: 501441-76-5
Standard SMILES: COC(=O)c1ccc2c(c1)C(N)CCC2
InChIKey: SJXJNEAOJHBQIZ-UHFFFAOYSA-N
Molecular formula: C12H15NO2
Average molar mass: 205.25 g/mol
Monoisotopic mass: 205.11027872

Names & identifiers

Preferred name: Methyl 8-amino-5,6,7,8-tetrahydronaphthalene-2-carboxylate
IUPAC: methyl 8-amino-5,6,7,8-tetrahydronaphthalene-2-carboxylate
English name: 2-Naphthalenecarboxylicacid,8-amino-5,6,7,8-tetrahydro-,methylester(9CI)
Molecular formula: C12H15NO2
Molecular weight: 205.25

Names & synonyms

Methyl 8-amino-5,6,7,8-tetrahydronaphthalene-2-carboxylate501441-76-5MFCD18208953SCHEMBL2853625DTXSID60666525SJXJNEAOJHBQIZ-UHFFFAOYSA-Nmethyl 4-aminotetralin-6-carboxylateAKOS016005039SB49636SB77746SB78542DB-352135

Show more names

2-Naphthalenecarboxylic acid, 8-amino-5,6,7,8-tetrahydro-, methyl ester2-Naphthalenecarboxylicacid,8-amino-5,6,7,8-tetrahydro-,methylester(9CI)

CS-0301990EN300-4312873METHYL8-AMINO-5,6,7,8-TETRAHYDRONAPHTHALENE-2-CARBOXYLATE

Database identifiers

CAS: 501441-76-5
PubChem CID: 45089709
DTXSID: DTXSID60666525

Properties

Computed structural properties

XLogP: 1.4
Topological polar surface area: 52.3 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 3
Rotatable bonds: 2
Heavy atoms: 15
Formal charge: 0
Complexity: 242

Related reactions

2 records

New reaction record

HRID 695145As reactantTraining data from https://doi.org/10.1039/C8SC04228D (3/10)

HRID 733601As reactantuspto-grants-2009_09

Compound notes

Loading…