2-Amino-2-[1-(3-chlorophenyl)-3,5-dimethyl-1H-pyrazol-4-yl]acetic Acid Hydrochloride - CAS 1078161-69-9
Catalog: |
BB074907 |
Product Name: |
2-Amino-2-[1-(3-chlorophenyl)-3,5-dimethyl-1H-pyrazol-4-yl]acetic Acid Hydrochloride |
CAS: |
1078161-69-9 |
Synonyms: |
2-amino-2-[1-(3-chlorophenyl)-3,5-dimethyl-1H-pyrazol-4-yl]acetic acid hydrochloride; 2-amino-2-[1-(3-chlorophenyl)-3,5-dimethylpyrazol-4-yl]acetic acid; hydrochloride; 2-Amino-2-(1-(3-chlorophenyl)-3,5-dimethyl-1h-pyrazol-4-yl)acetic acid hydrochloride; amino[1-(3-chlorophenyl)-3,5-dimethyl-1H-pyrazol-4-yl]acetic acid hydrochloride |
IUPAC Name: | 2-amino-2-[1-(3-chlorophenyl)-3,5-dimethylpyrazol-4-yl]acetic acidhydrochloride |
Molecular Weight: | 316.18 |
Molecular Formula: | C13H14N3O2Cl·HCl |
Canonical SMILES: | CC1=C(C(=NN1C2=CC(=CC=C2)Cl)C)C(C(=O)O)N.Cl |
InChI: | InChI=1S/C13H14ClN3O2.ClH/c1-7-11(12(15)13(18)19)8(2)17(16-7)10-5-3-4-9(14)6-10/h3-6,12H,15H2,1-2H3,(H,18,19)1H |
InChI Key: | IMGLAHICQNUVJH-UHFFFAOYSA-N |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 |
Signal Word: | Warning |
Complexity: | 342 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 2 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 315.0541321 |
Formal Charge: | 0 |
Heavy Atom Count: | 20 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 3 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 315.0541321 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 81.1Ų |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
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