N-Boc-α-(phenylsulfonyl)isobutylamine - CAS 932710-66-2
Catalog: |
BB040831 |
Product Name: |
N-Boc-α-(phenylsulfonyl)isobutylamine |
CAS: |
932710-66-2 |
Synonyms: |
tert-butyl N-(benzenesulfonyl)-N-(2-methylpropyl)carbamate |
IUPAC Name: | tert-butyl N-(benzenesulfonyl)-N-(2-methylpropyl)carbamate |
Description: | N-Boc-α-(phenylsulfonyl)isobutylamine (CAS# 932710-66-2 ) is a useful research chemical. |
Molecular Weight: | 313.41 |
Molecular Formula: | C15H23NO4S |
Canonical SMILES: | CC(C)CN(C(=O)OC(C)(C)C)S(=O)(=O)C1=CC=CC=C1 |
InChI: | InChI=1S/C15H23NO4S/c1-12(2)11-16(14(17)20-15(3,4)5)21(18,19)13-9-7-6-8-10-13/h6-10,12H,11H2,1-5H3 |
InChI Key: | ILVKRAHSTKXYMF-UHFFFAOYSA-N |
LogP: | 4.34920 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]; H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]; H318 (100%): Causes serious eye damage [Danger Serious eye damage/eye irritation]; H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation] |
Precautionary Statement: | P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P403+P233, P405, and P501 |
Signal Word: | Danger |
Complexity: | 439 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 313.13477939 |
Formal Charge: | 0 |
Heavy Atom Count: | 21 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 313.13477939 |
Rotatable Bond Count: | 6 |
Topological Polar Surface Area: | 72.1 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.6 |
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