N-Boc-(tosyl)methylamine - CAS 433335-00-3
Catalog: |
BB025386 |
Product Name: |
N-Boc-(tosyl)methylamine |
CAS: |
433335-00-3 |
Synonyms: |
tert-butyl N-[(4-methylphenyl)sulfonylmethyl]carbamate |
IUPAC Name: | tert-butyl N-[(4-methylphenyl)sulfonylmethyl]carbamate |
Description: | N-Boc-(tosyl)methylamine (CAS# 433335-00-3 ) is a useful research chemical. |
Molecular Weight: | 285.36 |
Molecular Formula: | C13H19NO4S |
Canonical SMILES: | CC1=CC=C(C=C1)S(=O)(=O)CNC(=O)OC(C)(C)C |
InChI: | InChI=1S/C13H19NO4S/c1-10-5-7-11(8-6-10)19(16,17)9-14-12(15)18-13(2,3)4/h5-8H,9H2,1-4H3,(H,14,15) |
InChI Key: | WJECUHBEAHRZPC-UHFFFAOYSA-N |
MDL: | MFCD09842844 |
LogP: | 3.53610 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
EP-3452485-A2 | Arginase inhibitors and their therapeutic applications | 20160504 |
US-10391077-B2 | Arginase inhibitors and their therapeutic applications | 20160504 |
US-2017319536-A1 | Arginase Inhibitors and Their Therapeutic Applications | 20160504 |
WO-2017191130-A2 | Arginase inhibitors and their therapeutic applications | 20160504 |
EP-3452485-B1 | Arginase inhibitors and their therapeutic applications | 20160504 |
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 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.3 |
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