4-(Aminomethyl)-4-(3,4-dichlorophenyl)cyclohexanol - CAS 887978-44-1
Catalog: |
BB039240 |
Product Name: |
4-(Aminomethyl)-4-(3,4-dichlorophenyl)cyclohexanol |
CAS: |
887978-44-1 |
Synonyms: |
4-(aminomethyl)-4-(3,4-dichlorophenyl)-1-cyclohexanol; 4-(aminomethyl)-4-(3,4-dichlorophenyl)cyclohexan-1-ol |
IUPAC Name: | 4-(aminomethyl)-4-(3,4-dichlorophenyl)cyclohexan-1-ol |
Description: | 4-(Aminomethyl)-4-(3,4-dichlorophenyl)cyclohexanol (CAS# 887978-44-1 ) is a useful research chemical. |
Molecular Weight: | 274.19 |
Molecular Formula: | C13H17Cl2NO |
Canonical SMILES: | C1CC(CCC1O)(CN)C2=CC(=C(C=C2)Cl)Cl |
InChI: | InChI=1S/C13H17Cl2NO/c14-11-2-1-9(7-12(11)15)13(8-16)5-3-10(17)4-6-13/h1-2,7,10,17H,3-6,8,16H2 |
InChI Key: | APRZPAJFSXWXIH-UHFFFAOYSA-N |
LogP: | 3.82510 |
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 |
JP-5318779-B2 | Cycloalkylamine substituted isoquinoline and isoquinolinone derivatives | 20061227 |
PT-2102164-E | ISOQUINOLINE AND ISOKINOLINONE DERIVATIVES SUBSTITUTED WITH CYCLOALQUILAMINE | 20061227 |
Complexity: | 254 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 273.0687196000001 |
Formal Charge: | 0 |
Heavy Atom Count: | 17 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 273.0687196000001 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 46.2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.9 |
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