4-(4-Ethylpiperazinocarbonyl)benzylamine - CAS 926227-38-5
Catalog: |
BB065564 |
Product Name: |
4-(4-Ethylpiperazinocarbonyl)benzylamine |
CAS: |
926227-38-5 |
Synonyms: |
4-(4-Ethylpiperazinocarbonyl)benzylamine; 1-(4-[(4-ETHYLPIPERAZIN-1-YL)CARBONYL]PHENYL)METHANAMINE; (4-(aminomethyl)phenyl)(4-ethylpiperazin-1-yl)methanone; {4-[(4-ethylpiperazin-1-yl)carbonyl]phenyl}methanamine |
IUPAC Name: | [4-(aminomethyl)phenyl]-(4-ethylpiperazin-1-yl)methanone |
Description: | 4-(4-Ethylpiperazinocarbonyl)benzylamine |
Molecular Weight: | 247.34 |
Molecular Formula: | C14H21N3O |
Canonical SMILES: | CCN1CCN(CC1)C(=O)C2=CC=C(C=C2)CN |
InChI: | InChI=1S/C14H21N3O/c1-2-16-7-9-17(10-8-16)14(18)13-5-3-12(11-15)4-6-13/h3-6H,2,7-11,15H2,1H3 |
InChI Key: | UQXGAMQAYYWJBW-UHFFFAOYSA-N |
Complexity: | 266 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 247.168462302 |
Formal Charge: | 0 |
Heavy Atom Count: | 18 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 247.168462302 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 49.6Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | -0.4 |
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