Allyl 4-Aminobenzoate - CAS 62507-78-2

Catalog:	BB031628
Product Name:	Allyl 4-Aminobenzoate
CAS:	62507-78-2
Synonyms:	4-aminobenzoic acid prop-2-enyl ester; prop-2-enyl 4-aminobenzoate

Technical Data

Patents

Computed Properties

IUPAC Name:	prop-2-enyl 4-aminobenzoate
Description:	Allyl 4-Aminobenzoate (CAS# 62507-78-2 ) is a useful research chemical.
Molecular Weight:	177.20
Molecular Formula:	C10H11NO2
Canonical SMILES:	C=CCOC(=O)C1=CC=C(C=C1)N
InChI:	InChI=1S/C10H11NO2/c1-2-7-13-10(12)8-3-5-9(11)6-4-8/h2-6H,1,7,11H2
InChI Key:	RCLUGZNGGNESST-UHFFFAOYSA-N
LogP:	2.19280

Publication Number	Title	Priority Date
WO-2020023898-A1	Use of neurokinin-1 antagonists to treat chronic pruritus	20180727
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Complexity:	183
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	177.078978594
Formal Charge:	0
Heavy Atom Count:	13
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	177.078978594
Rotatable Bond Count:	4
Topological Polar Surface Area:	52.3
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.7