| CAS Number | 1269052-96-1 |
| Catalog Number | AG00J1F5 |
| Chemical Name | 4-amino-1-(3-methylphenyl)-2-pyrrolidinone hydrochloride |
| IUPAC Name | 4-amino-1-(3-methylphenyl)pyrrolidin-2-one;hydrochloride |
| InChI | InChI=1S/C11H14N2O.ClH/c1-8-3-2-4-10(5-8)13-7-9(12)6-11(13)14;/h2-5,9H,6-7,12H2,1H3;1H |
| InChI Key | FXYIHYFEXFIADL-UHFFFAOYSA-N |
| MDL Number | MFCD18483399 |
| Molecular Formula | C11H15ClN2O |
| Molecular Weight | 226.7026 |
| SMILES | N1(CC(CC1=O)N)C1=CC=CC(C)=C1.Cl |
| Synonyms | 1114822-38-6,
4-AMINO-1-(3-METHYLPHENYL)PYRROLIDIN-2-ONE HYDROCHLORIDE,
4-amino-1-(3-methylphenyl)-2-pyrrolidinone hydrochloride,
1269052-96-1,
DTXSID90677604,
ZX-CM004223,
MFCD18483399,
AKOS032963116,
MCULE-8459744623,
4-Amino-1-(3-methylphenyl)pyrrolidin-2-one--hydrogen chloride (1/1),
|
| Complexity | 229 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 226.087g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 226.704g/mol |
| Monoisotopic Mass | 226.087g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 46.3A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
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