Methyl 2-((diphenylmethylene)amino)-5,6,7,8-tetrahydronaphthalene-1-carboxylate
Basic information
- CAS
900492-90-2- Standard SMILES
COC(=O)c1c(N=C(c2ccccc2)c2ccccc2)ccc2c1CCCC2- InChIKey
BWPICKYKZWJHPU-UHFFFAOYSA-N- Molecular formula
- C25H23NO2
- Average molar mass
- 369.5 g/mol
Names & identifiers
- Preferred name
- Methyl 2-((diphenylmethylene)amino)-5,6,7,8-tetrahydronaphthalene-1-carboxylate
- IUPAC
- methyl 2-(benzhydrylideneamino)-5,6,7,8-tetrahydronaphthalene-1-carboxylate
- English name
- 1-Naphthalenecarboxylic acid,2-[(diphenylmethylene)amino]-5,6,7,8-tetrahydro-,methyl ester（WS205031）
- Molecular formula
- C25H23NO2
- Molecular weight
- 369.46
Names & synonyms
900492-90-2Methyl 2-((diphenylmethylene)amino)-5,6,7,8-tetrahydronaphthalene-1-carboxylate1-Naphthalenecarboxylic acid,2-[(diphenylmethylene)amino]-5,6,7,8-tetrahydro-,methyl esterMethyl 2-(benzhydrylideneamino)-5,6,7,8-tetrahydronaphthalene-1-carboxylatemethyl 2-[(diphenylmethylidene)amino]-5,6,7,8-tetrahydronaphthalene-1-carboxylateSCHEMBL12501029BWPICKYKZWJHPU-UHFFFAOYSA-NMFCD31656874AKOS037647650AS-74386CS-0059868W17956
Show more names
1-Naphthalenecarboxylic acid,2-[(diphenylmethylene)amino]-5,6,7,8-tetrahydro-,methyl ester（WS205031）
F603136methyl 6-(benzhydrylideneamino)tetralin-5-carboxylate1-Naphthalenecarboxylicacid,2-[(diphenylmethylene)amino]-5,6,7,8-tetrahydro-,methylester2-(Benzhydrylideneamino)-5,6,7,8-tetrahydronaphthalene-1-carboxylic acid methyl ester1-Naphthalenecarboxylic acid, 2-[(diphenylmethylene)amino]-5,6,7,8-tetrahydro-, methyl ester
Database identifiers
- CAS
900492-90-2
Properties
Computed structural properties
- XLogP
- 6.3
- Topological polar surface area
- 38.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 525
Physicochemical properties
- Boiling point
- 529.3 · 529.3±50.0 °C(Predicted)
- Density
- 1.12 · 1.12±0.1 g/cm3(Predicted)
- pka
- 2.46 · 2.46±0.20(Predicted)
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Compound notes
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