Basic information
- CAS
102584-40-7- Standard SMILES
COC(=O)C1CCC(=N)N1Cc1ccc(OC)cc1.Cl- InChIKey
KOOYGGIYVOMPJV-UHFFFAOYSA-N- Molecular formula
- C14H19ClN2O3
- Average molar mass
- 298.76 g/mol
- Monoisotopic mass
- 298.1084202
Names & identifiers
- Preferred name
- 2-Pyrrolidinecarboxylic acid, 5-imino-1-(p-methoxybenzyl)-, methyl ester, hydrochloride
- IUPAC
- methyl 5-imino-1-[(4-methoxyphenyl)methyl]pyrrolidine-2-carboxylate;hydrochloride
Names & synonyms
5-Imino-1-(p-methoxybenzyl)-2-pyrrolidinecarboxylic acid methyl ester hydrochloride102584-40-72-Pyrrolidinecarboxylic acid, 5-imino-1-(p-methoxybenzyl)-, methyl ester, hydrochlorideRefChem:266745DTXSID20907805Methyl 5-imino-1-[(4-methoxyphenyl)methyl]prolinate--hydrogen chloride (1/1)
Database identifiers
- CAS
102584-40-7- PubChem CID
- 5744404
- DTXSID
DTXSID20907805
Properties
Computed structural properties
- Topological polar surface area
- 62.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 338
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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