6-(Aminomethyl)-1,4-benzodioxane - CAS 17413-10-4

Name: 6-(Aminomethyl)-1,4-benzodioxane
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB012985
Product Name:	6-(Aminomethyl)-1,4-benzodioxane
CAS:	17413-10-4
Synonyms:	2,3-dihydro-1,4-benzodioxin-6-ylmethanamine; 2,3-dihydro-1,4-benzodioxin-6-ylmethanamine

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Computed Properties

IUPAC Name:	2,3-dihydro-1,4-benzodioxin-6-ylmethanamine
Description:	6-(Aminomethyl)-1,4-benzodioxane (CAS# 17413-10-4) is a useful research chemical.
Molecular Weight:	165.19
Molecular Formula:	C9H11NO2
Canonical SMILES:	C1COC2=C(O1)C=CC(=C2)CN
InChI:	InChI=1S/C9H11NO2/c10-6-7-1-2-8-9(5-7)12-4-3-11-8/h1-2,5H,3-4,6,10H2
InChI Key:	FUDYRLUSXBRPIA-UHFFFAOYSA-N
Boiling Point:	282.7 °C at 760 mmHg
Density:	1.194 g/cm³
MDL:	MFCD02677684
LogP:	1.61680

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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+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Publication Number	Title	Priority Date
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WO-2019242689-A1	Cyano-substituted pyridine and cyano-substituted pyrimidine compound, and preparation method and application thereof	20180622
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Complexity:	152
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	165.078978594
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	165.078978594
Rotatable Bond Count:	1
Topological Polar Surface Area:	44.5 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.7