| CAS Number | 1217643-09-8 |
| Catalog Number | AG01DFD1 |
| Chemical Name | (S)-2-(3-chlorophenyl)pyrrolidine |
| IUPAC Name | (2S)-2-(3-chlorophenyl)pyrrolidine |
| InChI | InChI=1S/C10H12ClN/c11-9-4-1-3-8(7-9)10-5-2-6-12-10/h1,3-4,7,10,12H,2,5-6H2/t10-/m0/s1 |
| InChI Key | SRTPGDGQKPCDMC-JTQLQIEISA-N |
| MDL Number | MFCD06762574 |
| Molecular Formula | C10H12ClN |
| Molecular Weight | 181.6620 |
| SMILES | ClC=1C=C(C=CC1)[C@H]1NCCC1 |
| Synonyms | (2S)-2-(3-chlorophenyl)pyrrolidine,
(S)-2-(3-CHLOROPHENYL)PYRROLIDINE,
1217643-09-8,
AC1ODYD7,
AMOT0551,
SCHEMBL6178562,
ZINC2582579,
8569AH,
AKOS015933223,
AJ-43095,
C10H12ClN,
2-(3-chlorophenyl)pyrrolidine,
(S)-2-(3-Chloro-phenyl)-pyrrolidine,
ACN-054624,
CID7022788,
|
| Complexity | 149 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 181.066g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 181.663g/mol |
| Monoisotopic Mass | 181.066g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 12A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.4 |
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