3-Methoxybenzamidine Hydrochloride - CAS 26113-44-0

Catalog:	BB019132
Product Name:	3-Methoxybenzamidine Hydrochloride
CAS:	26113-44-0
Synonyms:	3-methoxybenzenecarboximidamide;hydrochloride; 3-methoxybenzenecarboximidamide;hydrochloride

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Computed Properties

IUPAC Name:	3-methoxybenzenecarboximidamide;hydrochloride
Description:	3-Methoxybenzamidine Hydrochloride (CAS# 26113-44-0) is a useful research chemical.
Molecular Weight:	186.64
Molecular Formula:	C8H11ClN2O
Canonical SMILES:	COC1=CC=CC(=C1)C(=N)N.Cl
InChI:	InChI=1S/C8H10N2O.ClH/c1-11-7-4-2-3-6(5-7)8(9)10;/h2-5H,1H3,(H3,9,10);1H
InChI Key:	YDBIEYOHXLUHLK-UHFFFAOYSA-N
Boiling Point:	299.8 °C at 760 mmHg
MDL:	MFCD04114430
LogP:	2.58130

Publication Number	Title	Priority Date
CN-113480486-A	3-amido-1, 2,4-triazole derivative and preparation method and application thereof	20210730
CN-111606865-A	Asymmetric substituted 1,3, 5-triazine compound and preparation method and application thereof	20200608
WO-2021116178-A1	Pyrazolotriazines	20191211
EP-2423202-A1	Triazine-based compound and ultraviolet absorber	20100831
EP-2423202-B1	Triazine-based compound and ultraviolet absorber	20100831

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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:	147
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	2
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	186.0559907
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	3
Isotope Atom Count:	0
Monoisotopic Mass:	186.0559907
Rotatable Bond Count:	2
Topological Polar Surface Area:	59.1 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0