2-(3-Chlorophenyl)propan-2-amine - CAS 17790-50-0
Catalog: |
BB069886 |
Product Name: |
2-(3-Chlorophenyl)propan-2-amine |
CAS: |
17790-50-0 |
Synonyms: |
3-Chloro-α,α-dimethyl-benzenemethanamine; m-Chloro-α,α-dimethyl-benzylamine; 1-(3-Chlorophenyl)-1-methylethylamine; 3-Chloro-α,α-dimethylbenzylamine |
IUPAC Name: | 2-(3-chlorophenyl)propan-2-amine |
Description: | 2-(3-Chlorophenyl)propan-2-amine is used as a reagent in the synthesis of alkoxycarbonyl(aryl)dihydropyrrolone derivatives which have herbicidal activity. |
Molecular Weight: | 169.65 |
Molecular Formula: | C9H12ClN |
Canonical SMILES: | CC(C)(C1=CC(=CC=C1)Cl)N |
InChI: | InChI=1S/C9H12ClN/c1-9(2,11)7-4-3-5-8(10)6-7/h3-6H,11H2,1-2H3 |
InChI Key: | RJFOLCUYDLFKFW-UHFFFAOYSA-N |
References: | Fusaka, T., et al. J. Pestic. Sci., 29, 339 (2004). |
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+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P403+P233, P405, and P501 |
Signal Word: | Danger |
Complexity: | 134 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 169.0658271 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 169.0658271 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 26Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.4 |
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