Basic Information | Post buying leads | Suppliers | Cas Database |
Name |
1-Amino-1-phenylacetone hydrochloride |
EINECS | N/A |
CAS No. | 3904-16-3 | Density | N/A |
PSA | 43.09000 | LogP | 2.77770 |
Solubility | N/A | Melting Point |
N/A |
Formula | C9H11NO.HCl | Boiling Point | 235.2 °C at 760 mmHg |
Molecular Weight | 185.653 | Flash Point | 96.1 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
2-Propanone,1-amino-1-phenyl-, hydrochloride (6CI,7CI,8CI,9CI);1-Amino-1-phenyl-2-propanone hydrochloride;1-Amino-1-phenylacetonehydrochloride; |
Article Data | 6 |
The 1-Amino-1-phenylacetone hydrochloride with the cas number 3904-16-3 is also called 2-Propanone,1-amino-1-phenyl-,hydrochloride (1:1). The systematic name is 1-amino-1-phenylpropan-2-one hydrochloride. Its molecular formula is C9H11NO.HCl. The product's Category is Phenyls & Phenyl-Het.
The properties of the chemical are: (1)ACD/LogP: 0.88; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.29; (4)ACD/LogD (pH 7.4): 0.81; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 2.32; (7)ACD/KOC (pH 5.5): 4.87; (8)ACD/KOC (pH 7.4): 60.79; (9)#H bond acceptors: 2; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 20.31 Å2; (13)Enthalpy of Vaporization: 47.2 kJ/mol; (14)Vapour Pressure: 0.0506 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: Cl.O=C(C(N)c1ccccc1)C
(2)InChI: InChI=1/C9H11NO.ClH/c1-7(11)9(10)8-5-3-2-4-6-8;/h2-6,9H,10H2,1H3;1H
(3)InChIKey: PLWANCOYVAFWCA-UHFFFAOYAU