| CAS Number | 56606-73-6 |
| Catalog Number | AG00IA3K(AGN-PC-035SZD) |
| Chemical Name | 3-methyl-3-phenylpyrrolidine |
| IUPAC Name | 3-methyl-3-phenylpyrrolidine |
| InChI | InChI=1S/C11H15N/c1-11(7-8-12-9-11)10-5-3-2-4-6-10/h2-6,12H,7-9H2,1H3 |
| InChI Key | FITWJEPAVCOKSH-UHFFFAOYSA-N |
| MDL Number | MFCD16737829 |
| Molecular Formula | C11H15N |
| Molecular Weight | 161.2435 |
| SMILES | CC1(CNCC1)C1=CC=CC=C1 |
| Synonyms | 3-methyl-3-phenylpyrrolidine,
56606-73-6,
3-Methyl-3-phenyl-pyrrolidine,
SCHEMBL4331091,
FITWJEPAVCOKSH-UHFFFAOYSA-N,
Pyrrolidine, 3-methyl-3-phenyl-,
MFCD16737829,
AKOS005261603,
MCULE-9025124825,
3-Methyl-3-phenylpyrrolidine, AldrichCPR,
AS-51112,
Y-7728,
F8880-4244,
Z1398473868,
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| Complexity | 149 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 161.12g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 161.248g/mol |
| Monoisotopic Mass | 161.12g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 12A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.2 |
GHS Hazard and Precautionary Statements
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Hazard Class
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Hazard statements
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H302-H319
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Packing Group
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Precautionary statements
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P305+P351+P338
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UN Code
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Certificate of Analysis
Lot Number