1,3-Benzodioxole-5,6-diamine - CAS 38608-07-0

Catalog:	BB023716
Product Name:	1,3-Benzodioxole-5,6-diamine
CAS:	38608-07-0
Synonyms:	1,3-benzodioxole-5,6-diamine; 1,3-benzodioxole-5,6-diamine

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Computed Properties

IUPAC Name:	1,3-benzodioxole-5,6-diamine
Description:	1,3-Benzodioxole-5,6-diamine (CAS# 38608-07-0) is a useful research chemical.
Molecular Weight:	152.15
Molecular Formula:	C7H8N2O2
Canonical SMILES:	C1OC2=C(O1)C=C(C(=C2)N)N
InChI:	InChI=1S/C7H8N2O2/c8-4-1-6-7(2-5(4)9)11-3-10-6/h1-2H,3,8-9H2
InChI Key:	SNHKEQOYVVRBQO-UHFFFAOYSA-N
Boiling Point:	352.3 °C at 760 mmHg
Density:	1.446 g/cm³
LogP:	3.34610

Publication Number	Title	Priority Date
CN-111973608-A	Application of sialic acid derivative	20200917
US-2021230173-A1	Heterocyclic lsf inhibitors and their uses	20200124
KR-20210092673-A	Method for preparing antler extract with increased active ingredient and absorption rate	20200116
US-2021062171-A1	Novel sialidases and uses thereof	20190828
WO-2021011377-A2	Methods of enhancing immunogenicity of cancers	20190712

PMID	Publication Date	Title	Journal
22728599	20120918	Glycomic strategy for efficient linkage analysis of di-, oligo- and polysialic acids	Journal of proteomics
22617798	20120815	A universal fluorescent acceptor for high-performance liquid chromatography analysis of pro- and eukaryotic polysialyltransferases	Analytical biochemistry
22706323	20120801	Letter to the editor regarding 'Lactose does not interfere with the analysis of sialic acids as their 1,2-diamino-4,5-methylenedioxybenzene derivatives'	Analytical and bioanalytical chemistry
21872565	20111201	Five-minute glycoprotein sialic acid determination by high-performance anion exchange chromatography with pulsed amperometric detection	Analytical biochemistry
21185791	20111101	Simultaneous determination of D-amino acids by the coupling method of D-amino acid oxidase with high-performance liquid chromatography	Journal of chromatography. B, Analytical technologies in the biomedical and life sciences

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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

Complexity:	137
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	152.058577502
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	152.058577502
Rotatable Bond Count:	0
Topological Polar Surface Area:	70.5 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.4