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| CAS No.: | 19499-60-6 |
|---|---|
| Name: | N-METHYL-N-(4-NITROBENZYL)AMINE HYDROCHLORIDE |
| Article Data: | 23 |
| Molecular Structure: | |
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| Formula: | C8H10N2O2.HCl |
| Molecular Weight: | 166.18 |
| Synonyms: | benzenemethanamine, N-methyl-4-nitro-, hydrochloride (1:1);N-Methyl-1-(4-nitrophenyl)methanamine hydrochloride (1:1);N-Methyl-N-(4-nitrobenzyl)amineHCl; |
| Density: | 1.162±0.06 g/cm3(Predicted) |
| Melting Point: | 218 °C |
| Boiling Point: | 277.2 °C at 760 mmHg |
| Flash Point: | 121.5 °C |
| Hazard Symbols: |
 Xi
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| PSA: | 57.85000 |
| LogP: | 3.03030 |
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- Total:29 Page 1 of 1 1
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Specification
The N-Methyl-4-nitrobenzylamine hydrochloride with the cas number 19499-60-6 is also called benzenemethanamine, N-methyl-4-nitro-, hydrochloride (1:1). The systematic name is N-methyl-1-(4-nitrophenyl)methanamine hydrochloride. Its molecular formula is C8H10N2O2.HCl. The product category is Polyamines.
The properties of the chemical are: (1)ACD/LogP: 1.25; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.66; (4)ACD/LogD (pH 7.4): -0.21; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 3.92; (9)#H bond acceptors: 4; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 49.06 Å2; (13)Flash Point: 121.5 °C; (14)Enthalpy of Vaporization: 51.58 kJ/mol; (15)Boiling Point: 277.2 °C at 760 mmHg; (16)Vapour Pressure: 0.00459 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: Cl.[O-][N+](=O)c1ccc(cc1)CNC
(2)InChI: InChI=1/C8H10N2O2.ClH/c1-9-6-7-2-4-8(5-3-7)10(11)12;/h2-5,9H,6H2,1H3;1H
(3)InChIKey: LADGAFKIYVCZGN-UHFFFAOYAJ