3-Ethyl-5-methyl-benzenemethanamine - CAS 1314906-70-1
Catalog: |
BB065657 |
Product Name: |
3-Ethyl-5-methyl-benzenemethanamine |
CAS: |
1314906-70-1 |
Synonyms: |
(3-ethyl-5-methylphenyl)methanamine; 3-Ethyl-5-methyl-benzenemethanamine |
IUPAC Name: | (3-ethyl-5-methylphenyl)methanamine |
Molecular Weight: | 149.23 |
Molecular Formula: | C10H15N |
Canonical SMILES: | CCC1=CC(=CC(=C1)C)CN |
InChI: | InChI=1S/C10H15N/c1-3-9-4-8(2)5-10(6-9)7-11/h4-6H,3,7,11H2,1-2H3 |
InChI Key: | HJJBVNWOCABICU-UHFFFAOYSA-N |
Complexity: | 111 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 149.120449483 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 149.120449483 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 26Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.9 |
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