4-Aminochromane - CAS 53981-38-7

Catalog:	BB028427
Product Name:	4-Aminochromane
CAS:	53981-38-7
Synonyms:	3,4-dihydro-2H-1-benzopyran-4-amine; 3,4-dihydro-2H-chromen-4-amine

Technical Data

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Computed Properties

IUPAC Name:	3,4-dihydro-2H-chromen-4-amine
Description:	4-Aminochromane (CAS# 53981-38-7) is a useful research chemical.
Molecular Weight:	149.19
Molecular Formula:	C9H11NO
Canonical SMILES:	C1COC2=CC=CC=C2C1N
InChI:	InChI=1S/C9H11NO/c10-8-5-6-11-9-4-2-1-3-7(8)9/h1-4,8H,5-6,10H2
InChI Key:	LCOFMNJNNXWKOC-UHFFFAOYSA-N
Boiling Point:	237.395 °C at 760 mmHg
Density:	1.106 g/cm³
LogP:	2.16920

Publication Number	Title	Priority Date
WO-2021101836-A1	Antimalarial agents	20191119
US-2021130473-A1	TGFÃŸR1 INHIBITOR-ASGR ANTIBODY CONJUGATES AND USES THEREOF	20191009
WO-2020206363-A1	Compositions and methods of using the same for treatment of neurodegenerative and mitochondrial disease	20190403
WO-2020165417-A1	L-lysine epsilon-dehydrogenase variants and uses thereof	20190214
EP-3643711-A1	New anthelmintic compounds	20181024

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GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	138
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	149.084063974
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	149.084063974
Rotatable Bond Count:	0
Topological Polar Surface Area:	35.2 Å²
Undefined Atom Stereocenter Count:	1
Undefined Bond Stereocenter Count:	0
XLogP3:	0.9