N-Boc-4-(methylsulfonyl)benzylamine - CAS 694480-96-1
Catalog: |
BB033827 |
Product Name: |
N-Boc-4-(methylsulfonyl)benzylamine |
CAS: |
694480-96-1 |
Synonyms: |
N-[(4-methylsulfonylphenyl)methyl]carbamic acid tert-butyl ester; tert-butyl N-[(4-methylsulfonylphenyl)methyl]carbamate |
IUPAC Name: | tert-butyl N-[(4-methylsulfonylphenyl)methyl]carbamate |
Description: | N-Boc-4-(methylsulfonyl)benzylamine (CAS# 694480-96-1) is a useful research chemical. |
Molecular Weight: | 285.36 |
Molecular Formula: | C13H19NO4S |
Canonical SMILES: | CC(C)(C)OC(=O)NCC1=CC=C(C=C1)S(=O)(=O)C |
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 |
LogP: | 3.40000 |
Publication Number | Title | Priority Date |
AU-2003276802-A1 | 2-pyridone derivatives as inhibitors of neutrophile elastase | 20021112 |
AU-2003276802-B2 | 2-pyridone derivatives as inhibitors of neutrophile elastase | 20021112 |
CA-2504766-A1 | 2-pyridone derivatives as inhibitors of neutrophile elastase | 20021112 |
DE-60305061-T2 | 2-PYRIDONE DERIVATIVES AS INHIBITORS OF NEUTROPHILER ELASTASE | 20021112 |
EP-1562902-A1 | 2-pyridone derivatives as inhibitors of neutrophile elastase | 20021112 |
Complexity: | 397 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 285.10347926 |
Formal Charge: | 0 |
Heavy Atom Count: | 19 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 285.10347926 |
Rotatable Bond Count: | 5 |
Topological Polar Surface Area: | 80.8 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.7 |
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