3-Amino-3-(4-chlorophenyl)-1-propanol - CAS 68208-26-4
Catalog: |
BB033494 |
Product Name: |
3-Amino-3-(4-chlorophenyl)-1-propanol |
CAS: |
68208-26-4 |
Synonyms: |
3-amino-3-(4-chlorophenyl)-1-propanol; 3-amino-3-(4-chlorophenyl)propan-1-ol |
IUPAC Name: | 3-amino-3-(4-chlorophenyl)propan-1-ol |
Description: | 3-Amino-3-(4-chlorophenyl)-1-propanol (CAS# 68208-26-4) is a useful reactant for the synthesis of meta-functionalized pyridines. |
Molecular Weight: | 185.65 |
Molecular Formula: | C9H12ClNO |
Canonical SMILES: | C1=CC(=CC=C1C(CCO)N)Cl |
InChI: | InChI=1S/C9H12ClNO/c10-8-3-1-7(2-4-8)9(11)5-6-12/h1-4,9,12H,5-6,11H2 |
InChI Key: | JGNACDMQJLVKIU-UHFFFAOYSA-N |
Boiling Point: | 327.9 °C at 760 mmHg |
Density: | 1.216 g/cm3 |
MDL: | MFCD03412663 |
LogP: | 2.42250 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P310, P312, P321, P330, P332+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Danger |
Publication Number | Title | Priority Date |
CA-2961186-A1 | Tricyclic derivative | 20140918 |
JP-2017527606-A | Tricyclic derivatives | 20140918 |
US-2016083400-A1 | Tricyclic guanidine derivative | 20140918 |
US-2017273985-A1 | Tricyclic derivative | 20140918 |
WO-2016042775-A1 | Tricyclic derivative | 20140918 |
Complexity: | 124 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 185.0607417 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 185.0607417 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 46.2 Å2 |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.1 |
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