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2-Methoxy-3-(1-methyl-1H-1,2,4-triazol-3-yl)aniline

2-Methoxy-3-(1-methyl-1H-1,2,4-triazol-3-yl)aniline - CAS 1609394-10-6

Catalog:	BB060282
Product Name:	2-Methoxy-3-(1-methyl-1H-1,2,4-triazol-3-yl)aniline
CAS:	1609394-10-6
Synonyms:	2-methoxy-3-(1-methyl-1H-1,2,4-triazol-3-yl)aniline; 2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)aniline; Benzenamine, 2-methoxy-3-(1-methyl-1H-1,2,4-triazol-3-yl)-

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)aniline
Molecular Weight:	204.23
Molecular Formula:	C10H12N4O
Canonical SMILES:	CN1C=NC(=N1)C2=C(C(=CC=C2)N)OC
InChI:	InChI=1S/C10H12N4O/c1-14-6-12-10(13-14)7-4-3-5-8(11)9(7)15-2/h3-6H,11H2,1-2H3
InChI Key:	FIAZRZSVFOMYSD-UHFFFAOYSA-N
Melting Point:	120 - 121°C
Solubility:	DMSO (Slightly)
Appearance:	Pale Orange to Brown Solid
Storage:	4°C, Inert atmosphere

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GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	214
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	204.10111102
Formal Charge:	0
Heavy Atom Count:	15
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	204.10111102
Rotatable Bond Count:	2
Topological Polar Surface Area:	66Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1