N-Boc-(tosyl)methylamine - CAS 433335-00-3
Catalog:
BB025386
Product Name:
N-Boc-(tosyl)methylamine
CAS:
433335-00-3
Synonyms:
tert-Butyl (tosylmethyl)carbamate; (Toluene-4-sulfonylmethyl)carbamic acid
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BB025386
10 g
$998
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IUPAC Name: tert-butyl N-[(4-methylphenyl)sulfonylmethyl]carbamate
Description: N-Boc-(tosyl)methylamine 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
Boiling Point: 455.1±45.0 °C at 760 mmHg
Melting Point: 115-119 °C
Purity: 95%
Density: 1.2±0.1 g/cm3
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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