N-Boc-1-(trans-4-ethynylcyclohexyl)methanamine - CAS 1932050-98-0
Catalog: |
BB014933 |
Product Name: |
N-Boc-1-(trans-4-ethynylcyclohexyl)methanamine |
CAS: |
1932050-98-0 |
Synonyms: |
N-[(4-ethynylcyclohexyl)methyl]carbamic acid tert-butyl ester; tert-butyl N-[(4-ethynylcyclohexyl)methyl]carbamate |
IUPAC Name: | tert-butyl N-[(4-ethynylcyclohexyl)methyl]carbamate |
Description: | N-Boc-1-(trans-4-ethynylcyclohexyl)methanamine (CAS# 1932050-98-0) is a useful research chemical. |
Molecular Weight: | 237.34 |
Molecular Formula: | C14H23NO2 |
Canonical SMILES: | CC(C)(C)OC(=O)NCC1CCC(CC1)C#C |
InChI: | InChI=1S/C14H23NO2/c1-5-11-6-8-12(9-7-11)10-15-13(16)17-14(2,3)4/h1,11-12H,6-10H2,2-4H3,(H,15,16) |
InChI Key: | QCBDGAXQZUXRTG-UHFFFAOYSA-N |
Publication Number | Title | Priority Date |
AU-2015232543-A1 | 1,3-benzodioxole derivative | 20140317 |
AU-2015232543-A9 | 1,3-benzodioxole derivative | 20140317 |
AU-2015232543-B2 | 1,3-benzodioxole derivative | 20140317 |
CA-2942883-A1 | 1,3-benzodioxole derivative | 20140317 |
CA-2942883-C | 1,3-benzodioxole derivative | 20140317 |
Complexity: | 300 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 237.172878976 |
Formal Charge: | 0 |
Heavy Atom Count: | 17 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 237.172878976 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 38.3 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.1 |
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