1-[4-(tert-Butyl)phenyl]cyclopentanemethanamine - CAS 1096317-29-1
Catalog: |
BB002523 |
Product Name: |
1-[4-(tert-Butyl)phenyl]cyclopentanemethanamine |
CAS: |
1096317-29-1 |
Synonyms: |
[1-(4-tert-butylphenyl)cyclopentyl]methanamine; [1-(4-tert-butylphenyl)cyclopentyl]methanamine |
IUPAC Name: | [1-(4-tert-butylphenyl)cyclopentyl]methanamine |
Description: | 1-[4-(tert-Butyl)phenyl]cyclopentanemethanamine (CAS# 1096317-29-1) is a useful research chemical. |
Molecular Weight: | 231.38 |
Molecular Formula: | C16H25N |
Canonical SMILES: | CC(C)(C)C1=CC=C(C=C1)C2(CCCC2)CN |
InChI: | InChI=1S/C16H25N/c1-15(2,3)13-6-8-14(9-7-13)16(12-17)10-4-5-11-16/h6-9H,4-5,10-12,17H2,1-3H3 |
InChI Key: | LXUQWFWHUAKETK-UHFFFAOYSA-N |
LogP: | 4.45490 |
Complexity: | 237 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 231.198699802 |
Formal Charge: | 0 |
Heavy Atom Count: | 17 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 231.198699802 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 26 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 4.3 |
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