4-(Aminomethyl)-4-(3-chlorophenyl)cyclohexanol - CAS 887978-40-7
Catalog: |
BB039239 |
Product Name: |
4-(Aminomethyl)-4-(3-chlorophenyl)cyclohexanol |
CAS: |
887978-40-7 |
Synonyms: |
4-(aminomethyl)-4-(3-chlorophenyl)-1-cyclohexanol; 4-(aminomethyl)-4-(3-chlorophenyl)cyclohexan-1-ol |
IUPAC Name: | 4-(aminomethyl)-4-(3-chlorophenyl)cyclohexan-1-ol |
Description: | 4-(Aminomethyl)-4-(3-chlorophenyl)cyclohexanol (CAS# 887978-40-7 ) is a useful research chemical. |
Molecular Weight: | 239.74 |
Molecular Formula: | C13H18ClNO |
Canonical SMILES: | C1CC(CCC1O)(CN)C2=CC(=CC=C2)Cl |
InChI: | InChI=1S/C13H18ClNO/c14-11-3-1-2-10(8-11)13(9-15)6-4-12(16)5-7-13/h1-3,8,12,16H,4-7,9,15H2 |
InChI Key: | HMDUJAKYIFZHBL-UHFFFAOYSA-N |
LogP: | 0.78060 |
Publication Number | Title | Priority Date |
EP-2102164-A1 | Cycloalkylamine substituted isoquinoline and isoquinolinone derivatives | 20061227 |
EP-2102164-B1 | Cycloalkylamine substituted isoquinoline and isoquinolinone derivatives | 20061227 |
ES-2355534-T3 | ISOQUINOLINE AND ISOQUINOLINE DERIVATIVES REPLACED WITH CYCLLOKYLAMINE. | 20061227 |
PT-2102164-E | ISOQUINOLINE AND ISOKINOLINONE DERIVATIVES SUBSTITUTED WITH CYCLOALQUILAMINE | 20061227 |
RU-2468011-C2 | Cycloalkylamine-substituted isoquinoline and isoquinolinone derivatives | 20061227 |
Complexity: | 226 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 239.1076919 |
Formal Charge: | 0 |
Heavy Atom Count: | 16 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 239.1076919 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 46.2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.3 |
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