Methyl 3-amino-2-(benzyloxy)-5-methoxybenzoate hydrochloride
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Basic information
- CAS
1221792-96-6- Standard SMILES
COC(=O)c1cc(OC)cc(N)c1OCc1ccccc1.Cl- InChIKey
DKPMOZMSPVJWFM-UHFFFAOYSA-N- Molecular formula
- C16H18ClNO4
- Average molar mass
- 323.77 g/mol
- Monoisotopic mass
- 323.0924357
Names & identifiers
- Preferred name
- Methyl 3-amino-2-(benzyloxy)-5-methoxybenzoate hydrochloride
- IUPAC
- methyl 3-amino-5-methoxy-2-phenylmethoxybenzoate;hydrochloride
- English name
- Methyl 3-amino-2-(benzyloxy)-5-methoxybenzoate hydrochloride
- Molecular formula
- C16H18ClNO4
- Molecular weight
- 323.77142
Names & synonyms
Methyl 3-amino-2-(benzyloxy)-5-methoxybenzoate hydrochloride1221792-96-6MFCD16140354methyl 3-amino-5-methoxy-2-phenylmethoxybenzoate;hydrochlorideMethyl3-amino-2-(benzyloxy)-5-methoxybenzoatehydrochlorideMethyl 3-amino-2-(benzyloxy)-5-methoxybenzoatehydrochlorideAKOS005072173CE-0053SB82845CS-0442794Methyl 3-amino-2-(benzyloxy)-5-methoxybenzoate hydrochloride (1:1)
Database identifiers
- CAS
1221792-96-6- PubChem CID
- 49757534
Properties
Computed structural propertiesFilling in
- Topological polar surface area
- 70.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 330
Physicochemical properties
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
- HazardClass
- IRRITANT
- HS Code
- 2916399090 · 2916399090
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- hs_code
- 2916399090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_class
- IRRITANT
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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