| CAS Number | 351369-25-0 |
| Catalog Number | AG00CQN6 |
| Chemical Name | TERT-BUTYL ((4-METHYLPYRROLIDIN-3-YL)METHYL)CARBAMATE |
| IUPAC Name | tert-butyl N-[(4-methylpyrrolidin-3-yl)methyl]carbamate |
| InChI | InChI=1S/C11H22N2O2/c1-8-5-12-6-9(8)7-13-10(14)15-11(2,3)4/h8-9,12H,5-7H2,1-4H3,(H,13,14) |
| InChI Key | CEFJWUXTHLISAP-UHFFFAOYSA-N |
| MDL Number | MFCD18073168 |
| Molecular Formula | C11H22N2O2 |
| Molecular Weight | 214.3046 |
| SMILES | CC1C(CNC(OC(C)(C)C)=O)CNC1 |
| Synonyms | 351369-25-0,
tert-Butyl ((4-methylpyrrolidin-3-yl)methyl)carbamate,
CARBAMIC ACID, [(4-METHYL-3-PYRROLIDINYL)METHYL]-, 1,1-DIMETHYLETHYL ESTER (9CI),
SCHEMBL4515874,
CTK8I3584,
tert-butyl N-[(4-methylpyrrolidin-3-yl)methyl]carbamate,
2-Methyl-2-propanyl [(4-methyl-3-pyrrolidinyl)methyl]carbamate,
|
| Complexity | 223 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 214.168g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 214.309g/mol |
| Monoisotopic Mass | 214.168g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 50.4A^2 |
| Undefined Atom Stereocenter Count | 2 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.3 |
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Certificate of Analysis
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