tert-Butyl 4-Aminobenzoate - CAS 18144-47-3

Catalog:	BB013815
Product Name:	tert-Butyl 4-Aminobenzoate
CAS:	18144-47-3
Synonyms:	4-aminobenzoic acid tert-butyl ester; tert-butyl 4-aminobenzoate

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Computed Properties

IUPAC Name:	tert-butyl 4-aminobenzoate
Description:	tert-Butyl 4-Aminobenzoate (CAS# 18144-47-3) is a useful research chemical.
Molecular Weight:	193.24
Molecular Formula:	C11H15NO2
Canonical SMILES:	CC(C)(C)OC(=O)C1=CC=C(C=C1)N
InChI:	InChI=1S/C11H15NO2/c1-11(2,3)14-10(13)8-4-6-9(12)7-5-8/h4-7H,12H2,1-3H3
InChI Key:	KYORUZMJUKHKFS-UHFFFAOYSA-N
Boiling Point:	322.4 °C at 760 mmHg
Density:	1.078 g/cm³
MDL:	MFCD00665790
LogP:	2.80530

Publication Number	Title	Priority Date
CN-113461595-A	Method for synthesizing carbazole derivative	20210616
CN-113336697-A	CDK9 inhibiting compound and application thereof	20210604
CN-111747957-A	Multi-target antitumor quinolizidine derivatives, and preparation method and application thereof	20200715
WO-2021211784-A2	Method of treating coronavirus infections	20200415
WO-2021203023-A1	Indole derivatives as alpha-1 -antitrypsin modulators for treating alpha-1 -antitrypsin deficiency (aatd)	20200403

PMID	Publication Date	Title	Journal
12945777	20030607	Antifolate chemistry: synthesis of 4-[N-[(6RS)-2-methyl-4-oxo-3,4,7,8-tetrahydro-6H-cyclopenta[g]quinazolin-6-yl]-N-(prop-2-ynyl)amino]benzoic acid via a (propargyl)Co2(CO)6+ complex	Organic & biomolecular chemistry

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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:	200
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