tert-Butyl 3-Aminobenzoate - CAS 92146-82-2

Catalog:	BB040440
Product Name:	tert-Butyl 3-Aminobenzoate
CAS:	92146-82-2
Synonyms:	3-aminobenzoic acid tert-butyl ester; tert-butyl 3-aminobenzoate

Technical Data

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Computed Properties

IUPAC Name:	tert-butyl 3-aminobenzoate
Description:	tert-Butyl 3-Aminobenzoate (CAS# 92146-82-2) is a useful research chemical.
Molecular Weight:	193.24
Molecular Formula:	C11H15NO2
Canonical SMILES:	CC(C)(C)OC(=O)C1=CC(=CC=C1)N
InChI:	InChI=1S/C11H15NO2/c1-11(2,3)14-10(13)8-5-4-6-9(12)7-8/h4-7H,12H2,1-3H3
InChI Key:	YGIRNXMYJLWFLH-UHFFFAOYSA-N
Boiling Point:	309.2 °C at 760 mmHg
Density:	1.078 g/cm³
MDL:	MFCD00729048
LogP:	2.80530

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GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement:	P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	208
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	193.110278721
Formal Charge:	0
Heavy Atom Count:	14
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	193.110278721
Rotatable Bond Count:	3
Topological Polar Surface Area:	52.3 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.1