Basic Information | Post buying leads | Suppliers |
Name |
N-Methyl-4-nitrophenethylamine hydrochloride |
EINECS | 1592732-453-0 | ||||
CAS No. | 166943-39-1 | Density | N/A | ||||
PSA | 57.85000 | LogP | 3.07280 | ||||
Solubility | N/A | Melting Point |
222-227 °C |
||||
Formula | C9H13ClN2O2 | Boiling Point | 335.8 °C at 760 mmHg | ||||
Molecular Weight | 216.667 | Flash Point | 156.9 °C | ||||
Transport Information | N/A | Appearance | N/A | ||||
Safety |
|
Risk Codes | N/A | ||||
Molecular Structure | Hazard Symbols | N/A | |||||
Synonyms |
Benzeneethanamine,N-methyl-4-nitro-, monohydrochloride (9CI);N-(4-Nitrophenethyl)-N-methylaminehydrochloride;N-Methyl-4-nitrobenzeneethanamine hydrochloride;N-Methyl-p-nitrophenethylamine hydrochloride; |
The N-Methyl-4-nitrophenethylamine hydrochloride, with the cas registry number 166943-39-1, has the systematic name of N-methyl-2-(4-nitrophenyl)ethanamine hydrochloride (1:1). And the molecular fomula of the chemical is C9H13ClN2O2. When you are dealing with it , you should be cautious: Do not breathe dust, and avoid contact with skin and eyes.
The characteristics of this chemical are as followings: (1)ACD/LogP: 1.33; (2)# of Rule of 5 Violations: 0; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 1; (6)ACD/KOC (pH 7.4): 1; (7)#H bond acceptors: 4; (8)#H bond donors: 1; (9)#Freely Rotating Bonds: 4; (10)Polar Surface Area: 57.85 Å2; (11)Flash Point: 156.9 °C; (12)Enthalpy of Vaporization: 59.04 kJ/mol; (13)Boiling Point: 335.8 °C at 760 mmHg; (14)Vapour Pressure: 8.36E-05 mmHg at 25°C.
Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: Cl.O=N(=O)c1ccc(CCNC)cc1
(2)InChI: InChI=1/C9H12N2O2.ClH/c1-10-7-6-8-2-4-9(5-3-8)11(12)13;/h2-5,10H,6-7H2,1H3;1H
(3)InChIKey: VGJDSNZOPPZCTB-UHFFFAOYAX