2-Methyl-4-phenyl-3-butyn-2-amine - CAS 143767-97-9
Catalog: |
BB056517 |
Product Name: |
2-Methyl-4-phenyl-3-butyn-2-amine |
CAS: |
143767-97-9 |
Synonyms: |
2-methyl-4-phenylbut-3-yn-2-amine; 2-Methyl-4-phenyl-3-butyne-2-amine |
IUPAC Name: | 2-methyl-4-phenylbut-3-yn-2-amine |
Description: | 2-Methyl-4-phenyl-3-butyn-2-amine is a reactant that functions as a catalyst in the cyclization of propargylamines. |
Molecular Weight: | 159.23 |
Molecular Formula: | C11H13N |
Canonical SMILES: | CC(C)(C#CC1=CC=CC=C1)N |
InChI: | InChI=1S/C11H13N/c1-11(2,12)9-8-10-6-4-3-5-7-10/h3-7H,12H2,1-2H3 |
InChI Key: | FWOGTLLXSBECKL-UHFFFAOYSA-N |
References: | Wang, H. et al. Adv. Synth. Catal., 360, 1693 (2018); Ying, J. et al. Eur. J. Org. Chem., 2018, 688 (2018). |
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 |
Publication Number | Title | Priority Date |
DE-4128029-A1 | SUBSTITUTED TRIAZOLINONES | 19910823 |
WO-9304050-A1 | Substituted triazolinones with herbicide properties | 19910823 |
Complexity: | 198 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 159.104799419 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 159.104799419 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 26Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.8 |
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