| CAS Number | 1354721-23-5 |
| Catalog Number | AG01DU7M |
| Chemical Name | (R)-3-pyrrolidin-2-yl-benzoic acid methyl ester hydrochloride |
| IUPAC Name | methyl 3-[(2R)-pyrrolidin-2-yl]benzoate;hydrochloride |
| InChI | InChI=1S/C12H15NO2.ClH/c1-15-12(14)10-5-2-4-9(8-10)11-6-3-7-13-11;/h2,4-5,8,11,13H,3,6-7H2,1H3;1H/t11-;/m1./s1 |
| InChI Key | VZRPGMINKNENCQ-RFVHGSKJSA-N |
| MDL Number | MFCD08751395 |
| Molecular Formula | C12H16ClNO2 |
| Molecular Weight | 241.7139 |
| SMILES | Cl.COC(C1=CC(=CC=C1)[C@@H]1NCCC1)=O |
| Synonyms | (R)-methyl 3-(pyrrolidin-2-yl)benzoate hydrochloride,
1354721-23-5,
(R)-3-pyrrolidin-2-yl-benzoic acid methyl ester hydrochloride,
(R)-Methyl 3-(pyrrolidin-2-yl)benzoate HCl,
AMOT0627,
SCHEMBL10277298,
VZRPGMINKNENCQ-RFVHGSKJSA-N,
MFCD08751395,
AKOS015934880,
(R)-3-pyrrolidin-2-yl-benzoic acid methyl ester HCl,
|
| Complexity | 230 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 241.087g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 241.715g/mol |
| Monoisotopic Mass | 241.087g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 38.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
| Symbol: |  |
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Hazard Class
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\N
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Hazard statements
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H302-H315-H319-H335
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Packing Group
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\N
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Precautionary statements
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P261-P280-P301+P312-P302+P352-P305+P351+P338
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UN Code
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\N
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Certificate of Analysis
Lot Number