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68039-17-8

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Basic Information
CAS No.: 68039-17-8
Name: N-(3-aminopropyl)-N-methyl-N'-(2-nitrophenyl)propane-1,3-diamine
Molecular Structure:
Molecular Structure of 68039-17-8 (N-(3-aminopropyl)-N-methyl-N'-(2-nitrophenyl)propane-1,3-diamine)
Formula: C13H22N4O2
Molecular Weight: 266.34
Synonyms: N-(3-Aminopropyl)-N-methyl-N'-(2-nitrophenyl)-1,3-propanediamine;
EINECS: 268-235-3
Density: 1.154 g/cm3
Boiling Point: 435.1 °C at 760 mmHg
Flash Point: 217 °C
PSA: 87.11000
LogP: 2.97390
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  • 1,3-PROPANEDIAMINE,N-(3-AMINOPROPYL)-N-METHYL-N'-(2-NITROPHENYL)-CAS

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    1,3-PROPANEDIAMINE,N-(3-AMINOPROPYL)-N-METHYL-N'-(2-NITROPHENYL)-CASAppearance:white crystalline powder Storage:Store in dry, dark and ventilated place Package:25KG drum Application:intermediate Transportation:by air, by sea, by express

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Specification

The CAS registry number of 1,3-Propanediamine, N-(3-aminopropyl)-N-methyl-N-(2-nitrophenyl)- is 68039-17-8. Its EINECS registry number is 268-235-3. The systematic name is N-(3-aminopropyl)-N-methyl-N'-(2-nitrophenyl)propane-1,3-diamine. In addition, the molecular formula is C13H22N4O2 and the molecular weight is 266.34. What's more, it should be stored in a cool and dry place.

Physical properties about this chemical are: (1)ACD/LogP: 2.00; (2)ACD/LogD (pH 5.5): -2.08; (3)ACD/LogD (pH 7.4): -1.17; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 1; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 6; (9)#H bond donors: 3; (10)#Freely Rotating Bonds: 10; (11)Polar Surface Area: 55.54 Å2; (12)Index of Refraction: 1.586; (13)Molar Refractivity: 77.46 cm3; (14)Molar Volume: 230.7 cm3; (15)Polarizability: 30.7 ×10-24cm3; (16)Surface Tension: 50.5 dyne/cm; (17)Density: 1.154 g/cm3; (18)Flash Point: 217 °C; (19)Enthalpy of Vaporization: 69.14 kJ/mol; (20)Boiling Point: 435.1 °C at 760 mmHg; (21)Vapour Pressure: 8.97E-08 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: [O-][N+](=O)c1ccccc1NCCCN(CCCN)C
(2)InChI: InChI=1/C13H22N4O2/c1-16(10-4-8-14)11-5-9-15-12-6-2-3-7-13(12)17(18)19/h2-3,6-7,15H,4-5,8-11,14H2,1H3
(3)InChIKey: WRRAOGAZOQEGQE-UHFFFAOYAY