[2-(3-Methoxy-4-nitro-1H-pyrazol-1-yl)ethyl]amine hydrochloride - CAS 1417569-74-4
Catalog: |
BB042765 |
Product Name: |
[2-(3-Methoxy-4-nitro-1H-pyrazol-1-yl)ethyl]amine hydrochloride |
CAS: |
1417569-74-4 |
Synonyms: |
2-(3-Methoxy-4-nitro-1H-pyrazol-1-yl)ethanamine hydrochloride; AKOS024395113 |
IUPAC Name: | 2-(3-methoxy-4-nitropyrazol-1-yl)ethanamine;hydrochloride |
Description: | [2-(3-Methoxy-4-nitro-1H-pyrazol-1-yl)ethyl]amine hydrochloride (CAS# 1417569-74-4 ) is a useful research chemical. |
Molecular Weight: | 222.63 |
Molecular Formula: | C6H11ClN4O3 |
Canonical SMILES: | COC1=NN(C=C1[N+](=O)[O-])CCN.Cl |
InChI: | InChI=1S/C6H10N4O3.ClH/c1-13-6-5(10(11)12)4-9(8-6)3-2-7;/h4H,2-3,7H2,1H3;1H |
InChI Key: | RLQOXKOFFDHNSS-UHFFFAOYSA-N |
GHS Hazard Statement: | 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] |
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: | 183 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 2 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 222.0519679 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 222.0519679 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 98.9 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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Related Functional Groups
Nitrogen Compounds
Pyrazoles
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