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Benzeneethanamine,N-methyl-4-nitro-, hydrochloride (1:1) (166943-39-1)

Identification
Name:Benzeneethanamine,N-methyl-4-nitro-, hydrochloride (1:1)
Synonyms:Benzeneethanamine,N-methyl-4-nitro-, monohydrochloride (9CI);N-(4-Nitrophenethyl)-N-methylaminehydrochloride;N-Methyl-4-nitrobenzeneethanamine hydrochloride;N-Methyl-p-nitrophenethylamine hydrochloride;
CAS:166943-39-1
Molecular Formula: C9H13ClN2O2
Molecular Weight: 216.66
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
Molecular Structure: (C9H13ClN2O2) Benzeneethanamine,N-methyl-4-nitro-, monohydrochloride (9CI);N-(4-Nitrophenethyl)-N-methylaminehydro...
Properties
Specification:

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

Safety Data
 

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