5-(3,5-Dimethoxyphenethyl)-1H-pyrazol-3-amine, 98%

Name: 5-(3,5-Dimethoxyphenethyl)-1H-pyrazol-3-amine
Brand: Chempure
Rating: 4 (1 reviews)

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CAS Number

1000895-53-3

Molecular Weight

247.29

Formula

C13H17N3O2

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About this item

IUPAC name	5-[2-(3,5-dimethoxyphenyl)ethyl]-1H-pyrazol-3-amine
inchi	InChI=1S/C13H17N3O2/c1-17-11-5-9(6-12(8-11)18-2)3-4-10-7-13(14)16-15-10/h5-8H,3-4H2,1-2H3,(H3,14,15,16)
inchi key	QKEFSZDRDPDTTE-UHFFFAOYSA-N
molecular formula	C13H17N3O2
synonyms	1000895-53-3 5-[2-(3,5-dimethoxyphenyl)ethyl]-1H-pyrazol-3-amine 5-(3,5-Dimethoxyphenethyl)-1H-pyrazol-3-amine 3-(3,5-dimethoxyphenethyl)-1H-pyrazol-5-amine 5-[2-(3,5-Dimethoxyphenyl)ethyl]-1H-pyrazole-3-amine

Computed Properties

Molecular Weight:	247.29 g/mol
XLogP3:	2.1
Hydrogen Bond Donor Count:	2
Hydrogen Bond Acceptor Count:	4
Rotatable Bond Count:	5
Exact Mass:	247.132076794 g/mol
Monoisotopic Mass:	247.132076794 g/mol
Topological Polar Surface Area:	73.2 Å²
Heavy Atom Count:	18
Formal Charge:	0
Complexity:	240
Isotope Atom Count:	0
Defined Atom Stereocenter Count:	0
Undefined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
Covalently-Bonded Unit Count:	1
Compound Is Canonicalized:	Yes

hazard signal	Warning
hazard classes and categories	Acute Tox. 4 (100%) Skin Irrit. 2 (100%) Eye Irrit. 2A (100%) STOT SE 3 (100%)
precautionary statement codes	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
hazard statements	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

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*This document is like a lab demo—an example Certificate of Analysis (COA) that showcases what a COA looks like but may not match the latest batch in all its glory. Think of it as a chemistry experiment: close, but not quite the final reaction!

Product No: DV7552

5-(3,5-Dimethoxyphenethyl)-1H-pyrazol-3-amine, 98%

Product No: DV7552

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