[4-(Prop-2-en-1-yloxy)phenyl]methanamine - CAS 83171-41-9

Catalog:	BB072675
Product Name:	[4-(Prop-2-en-1-yloxy)phenyl]methanamine
CAS:	83171-41-9
Synonyms:	(4-(allyloxy)phenyl)methanamine; (4-prop-2-enoxyphenyl)methanamine; 4-(allyloxy)benzylamine; 4-(2-Propen-1-yloxy)benzenemethanamine

Technical Data

IUPAC Name:	(4-prop-2-enoxyphenyl)methanamine
Description:	[4-(Prop-2-en-1-yloxy)phenyl]methanamine is a useful reagent in the preparation of novel 3- aminomethylindole derivatives, which functions as potential multifunctional anti- Inflammatory and neurotrophic agents.
Molecular Weight:	163.21
Molecular Formula:	C10H13NO
Canonical SMILES:	C=CCOC1=CC=C(C=C1)CN
InChI:	InChI=1S/C10H13NO/c1-2-7-12-10-5-3-9(8-11)4-6-10/h2-6H,1,7-8,11H2
InChI Key:	BQJOKMLXFZHRFX-UHFFFAOYSA-N
References:	Wang, W., et al. ACS Chem. Neurosci., 12, 1593 (2021).

Complexity:	128
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	163.099714038
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	163.099714038
Rotatable Bond Count:	4
Topological Polar Surface Area:	35.2Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.4