| CAS Number | 694480-96-1 |
| Catalog Number | AG003STA(AGN-PC-0FD3S9) |
| Chemical Name | N-Boc-4-(methylsulfonyl)benzylamine |
| IUPAC Name | tert-butyl N-[(4-methylsulfonylphenyl)methyl]carbamate |
| InChI | InChI=1S/C13H19NO4S/c1-13(2,3)18-12(15)14-9-10-5-7-11(8-6-10)19(4,16)17/h5-8H,9H2,1-4H3,(H,14,15) |
| InChI Key | GJMNGNDEJDAWCG-UHFFFAOYSA-N |
| MDL Number | MFCD21106154 |
| Molecular Formula | C13H19NO4S |
| Molecular Weight | 285.3593 |
| SMILES | O=S(C1=CC=C(C=C1)CNC(OC(C)(C)C)=O)(C)=O |
| Synonyms | N-Boc-4-(methylsulfonyl)benzylamine,
694480-96-1,
GJMNGNDEJDAWCG-UHFFFAOYSA-N,
KS-00000EC0,
7237AJ,
MFCD21106154,
ZINC82609819,
AKOS013100191,
TRA0041701,
AS-32169,
SY023506,
tert-Butyl [4-(methylsulfonyl)benzyl]carbamate,
Z-3418,
MFCD21106154 (97+%),
2-Methyl-2-propanyl [4-(methylsulfonyl)benzyl]carbamate,
C13H19NO4S,
tert-butyl 4-(methylsulfonyl)benzylcarbamate,
|
| Complexity | 397 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 285.103g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 285.358g/mol |
| Monoisotopic Mass | 285.103g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 80.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.7 |
GHS Hazard and Precautionary Statements
| Symbol: | |
|
Hazard statements
|
|
|
Precautionary statements
|
|
Certificate of Analysis
Lot Number