Benzyl(thiophen-2-ylmethyl)amine - CAS 73325-61-8
Catalog: |
BB061717 |
Product Name: |
Benzyl(thiophen-2-ylmethyl)amine |
CAS: |
73325-61-8 |
Synonyms: |
N-Benzyl-1-(thiophen-2-yl)methanamine; Benzyl(thiophen-2-ylmethyl)amine; 1-phenyl-N-(thiophen-2-ylmethyl)methanamine; BENZYL-THIOPHEN-2-YLMETHYL-AMINE; benzylthiophen-2-ylmethylamine; 1-Phenyl-N-(2-thienylmethyl)methanamine; benzyl(2-thienylmethyl)amine |
IUPAC Name: | 1-phenyl-N-(thiophen-2-ylmethyl)methanamine |
Molecular Weight: | 203.3 |
Molecular Formula: | C12H13NS |
Canonical SMILES: | C1=CC=C(C=C1)CNCC2=CC=CS2 |
InChI: | InChI=1S/C12H13NS/c1-2-5-11(6-3-1)9-13-10-12-7-4-8-14-12/h1-8,13H,9-10H2 |
InChI Key: | GEWKIDGKZRKUFB-UHFFFAOYSA-N |
References: | Campbell, K. et al. J. Am. Chem. Soc., 71, 2905 (1949). |
Complexity: | 154 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 203.07687059 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 203.07687059 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 40.3Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.5 |
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