| CAS Number | 893750-62-4 |
| Catalog Number | AG00J2ZR(AGN-PC-0WONFL) |
| Chemical Name | 4-(aminomethyl)-1-tert-butyl-2-pyrrolidinone |
| IUPAC Name | 4-(aminomethyl)-1-tert-butylpyrrolidin-2-one |
| InChI | InChI=1S/C9H18N2O/c1-9(2,3)11-6-7(5-10)4-8(11)12/h7H,4-6,10H2,1-3H3 |
| InChI Key | OEXQKGOAZYILFN-UHFFFAOYSA-N |
| MDL Number | MFCD06804426 |
| Molecular Formula | C9H18N2O |
| Molecular Weight | 170.2520 |
| SMILES | N1(CC(CC1=O)CN)C(C)(C)C |
| Synonyms | 893750-62-4,
4-(aminomethyl)-1-tert-butylpyrrolidin-2-one,
4-(Aminomethyl)-1-(tert-butyl)pyrrolidin-2-one,
SCHEMBL13253189,
AKOS013153130,
4-(aminomethyl)-1-tert-butyl-2-pyrrolidinone,
Y-2616,
|
| Complexity | 184 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 170.142g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 170.256g/mol |
| Monoisotopic Mass | 170.142g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 46.3A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -0.3 |
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