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4587-33-1

4587-33-1 structural image
Product Name: BOC-ASP-OH
Formula: C15H19N3O7
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SAFETY INFORMATION

Signal word Warning
Pictogram(s)

Exclamation Mark
Irritant
GHS07
GHS Hazard Statements H302:Acute toxicity,oral
Precautionary Statement Codes P264:Wash hands thoroughly after handling.
P264:Wash skin thouroughly after handling.
P270:Do not eat, drink or smoke when using this product.
P330:Rinse mouth.
P301+P312:IF SWALLOWED: call a POISON CENTER or doctor/physician IF you feel unwell.

COMPUTED DESCRIPTORS

Molecular Weight 353.33 g/mol
XLogP3 1.1
Hydrogen Bond Donor Count 2
Hydrogen Bond Acceptor Count 7
Rotatable Bond Count 8
Exact Mass 353.12229995 g/mol
Monoisotopic Mass 353.12229995 g/mol
Topological Polar Surface Area 154 Ų
Heavy Atom Count 25
Formal Charge 0
Complexity 516
Isotope Atom Count 0
Defined Atom Stereocenter Count 1
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes

PRODUCT INTRODUCTION

description

Boc-Asn-OPhNO2 is a L-asparagine derivative, a primary carboxamide, a carbamate ester and a C-nitro compound. It is functionally related to a 4-nitrophenol.