N-Butyl-4-chlorobenzenamine - CAS 5441-81-6
Catalog: |
BB071005 |
Product Name: |
N-Butyl-4-chlorobenzenamine |
CAS: |
5441-81-6 |
Synonyms: |
N-Butyl-4-chloroaniline; N-Butyl-p-chloroaniline; N-n-Butyl-4-chloroaniline; N-Butyl-p-chloro-aniline; NSC 20917 |
IUPAC Name: | N-butyl-4-chloroaniline |
Description: | N-Butyl-4-chlorobenzenamine is used in the study of the synthesis of 3-ethyl-2-propylquinoline derivatives. |
Molecular Weight: | 183.68 |
Molecular Formula: | C10H14ClN |
Canonical SMILES: | CCCCNC1=CC=C(C=C1)Cl |
InChI: | InChI=1S/C10H14ClN/c1-2-3-8-12-10-6-4-9(11)5-7-10/h4-7,12H,2-3,8H2,1H3 |
InChI Key: | NPKKGGAJLKNQDY-UHFFFAOYSA-N |
References: | Guo, Q., et al. Huaxue Yanjiu, 22, 31 (2011). |
Complexity: | 108 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 183.0814771 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 183.0814771 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 12Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.8 |
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