3-m-Tolyl-1H-pyrazol-5-amine - CAS 80568-96-3
Catalog: |
BB036526 |
Product Name: |
3-m-Tolyl-1H-pyrazol-5-amine |
CAS: |
80568-96-3 |
Synonyms: |
5-(3-methylphenyl)-1H-pyrazol-3-amine |
IUPAC Name: | 5-(3-methylphenyl)-1H-pyrazol-3-amine |
Description: | 3-m-Tolyl-1H-pyrazol-5-amine (CAS# 80568-96-3) is a useful research chemical. |
Molecular Weight: | 173.21 |
Molecular Formula: | C10H11N3 |
Canonical SMILES: | CC1=CC=CC(=C1)C2=CC(=NN2)N |
InChI: | InChI=1S/C10H11N3/c1-7-3-2-4-8(5-7)9-6-10(11)13-12-9/h2-6H,1H3,(H3,11,12,13) |
InChI Key: | KRRSPSCILJPKSA-UHFFFAOYSA-N |
Boiling Point: | 430.2 °C at 760 mmHg |
Purity: | 97+ % |
Density: | 1.196 g/cm3 |
MDL: | MFCD02664271 |
LogP: | 2.54850 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]; H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]; H318 (100%): Causes serious eye damage [Danger 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+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P403+P233, P405, and P501 |
Signal Word: | Danger |
Publication Number | Title | Priority Date |
CN-112876482-A | Polysubstituted heterocyclic derivative, preparation method and medical application thereof | 20201231 |
WO-2021146192-A1 | Substituted pyrazolo-pyrimidines and uses thereof | 20200113 |
US-2013053341-A1 | Therapeutic compounds and related methods of use | 20091231 |
US-2015307477-A1 | Therapeutic compounds and related methods of use | 20091231 |
US-2017217923-A1 | Therapeutic compounds and related methods of use | 20091231 |
Complexity: | 172 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 173.095297364 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 173.095297364 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 54.7 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.9 |
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