Basic information
- Standard SMILES
COc1ccc2c(c1)CC(N)CC2- InChIKey
ZNWNWWLWFCCREO-UHFFFAOYSA-N- Molecular formula
- C11H15NO
- Average molar mass
- 177.24 g/mol
- Monoisotopic mass
- 177.1153641
Names & identifiers
- Preferred name
- 2-Amino-7-methoxytetralin
- IUPAC
- 7-methoxy-1,2,3,4-tetrahydronaphthalen-2-amine
- English name
- 7-Methoxycoumarin
- Molecular formula
- C11H15NO
- Molecular weight
- 177.24
Names & synonyms
4003-89-82-AMINO-7-METHOXYTETRALINDTXSID301312417RefChem:1062207DTXCID609448907-methoxy-1,2,3,4-tetrahydronaphthalen-2-amine7-Methoxy-1,2,3,4-tetrahydro-naphthalen-2-ylamine118298-16-17-methoxytetralin-2-amineMFCD06739168CHEMBL4222747-methoxy-1,2,3,4-tetrahydronaphthalen-2-ylamine
Show more names
7-Methoxycoumarin2-AMINO-7-METHOXYTETRALINE7-methoxy-1-benzopyran-2-one7-Methoxy-1,2,3,4-tetrahydro-2-naphthylamine1,2,3,4-Tetrahydro-7-methoxy-2-naphthalenamine1,2,3,4-TETRAHYDRO-7-METHOXY-2-NAPHTHALENEAMINE2-Amino-7-methoxy-1,2,3,4-tetrahydronaphthalene7-Methoxy-1,2,3,4-tetrahydro-phthalen-2-ylamine
2-AMINO-1,2,3,4-TETRAHYDRO-7-METHOXYNAPHTHALENE(s)-2-amino-1,2,3,4-tetrahydro-7-methoxynaphthalene(2R)-7-methoxytetralin-2-amine7-methoxy-2-aminotetralin7-methoxy-2-aminotetraline7-methoxy-2-amino-tetralinSCHEMBL267102DTXSID10469346
Database identifiers
- CAS
118298-16-1、4003-89-8- PubChem CID
- 11608015
- ChEMBL
CHEMBL422274- Nikkaji
- J780.849F
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 35.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 171
Physicochemical properties
- Melting point
- 218 · 218-220°C
- Boiling point
- 299.6 · 299.6±40.0 °C(Predicted)
- Density
- 1.056 · 1.056±0.06 g/cm3(Predicted)
- storage temp.
- -20 °C · -20°C Freezer
- solubility
- Methanol (Slightly)
- form
- Solid
- pka
- 10.21 · 10.21±0.20(Predicted)
- color
- Off-White to Pale Brown
- CAS DataBase Reference
- 4003 · 4003-89-8(CAS DataBase Reference)
- FDA UNII
- 72 G008A · DGK72G008A
Chemistry & industry
Applications
Uses7-Methoxycoumarin is a compound biosynthesized in lavender that exhibits antimicrobial activity. 7-Methoxycoumarin is also a natural component of key lime oils and is also used as an insecticide.
Upstream & downstream products
Upstream raw materials
Related reactions
20 records
Linked notes
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