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2044-21-5

Basic Information
CAS No.: 2044-21-5
Name: DI-N-NONYLAMINE
Article Data: 2
Molecular Structure:
Molecular Structure of 2044-21-5 (DI-N-NONYLAMINE)
Formula: C18H39N
Molecular Weight: 269.514
Synonyms: Dinonylamine(7CI,8CI);N,N-Bis(n-nonyl)amine;N-n-Nonyl-n-nonylamine;NSC 1764;
Density: 0.805 g/cm3
Melting Point: 24 °C
Boiling Point: 337.1 °C at 760 mmHg
Flash Point: 145.9 °C
Risk Codes: 34
Safety: 26-36/37/39
PSA: 12.03000
LogP: 6.46810
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Specification

The 1-Nonanamine, N-nonyl- is an organic compound with the formula C18H39N. The IUPAC name of this chemical is N-Nonylnonan-1-amine. With the CAS registry number 2044-21-5, it is also named as Dinonylamine. Besides, it should be stored in a cool, sealed, dry, well-ventilated place.

Physical properties about 1-Nonanamine, N-nonyl- are: (1)ACD/LogP: 8.07; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 4.97; (4)ACD/LogD (pH 7.4): 5.11; (5)ACD/BCF (pH 5.5): 639.98; (6)ACD/BCF (pH 7.4): 876.86; (7)ACD/KOC (pH 5.5): 467.51; (8)ACD/KOC (pH 7.4): 640.55; (9)#H bond acceptors: 1; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 16; (12)Polar Surface Area: 3.24 Å2; (13)Index of Refraction: 1.445; (14)Molar Refractivity: 89.03 cm3; (15)Molar Volume: 334.4 cm3; (16)Polarizability: 35.29×10-24 cm3; (17)Surface Tension: 29 dyne/cm; (18)Density: 0.805 g/cm3; (19)Flash Point: 145.9 °C; (20)Enthalpy of Vaporization: 58.03 kJ/mol; (21)Boiling Point: 337.1 °C at 760 mmHg; (22)Vapour Pressure: 0.000107 mmHg at 25 °C.

When you are using this chemical, please be cautious about it as the following:
It causes burns. When you are using it, wear suitable protective clothing, gloves and eye/face protection. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1)InChI: InChI=1/C18H39N/c1-3-5-7-9-11-13-15-17-19-18-16-14-12-10-8-6-4-2/h19H,3-18H2,1-2H3
(2)InChIKey: MFHKEJIIHDNPQE-UHFFFAOYAG
(3)Std. InChI: InChI=1S/C18H39N/c1-3-5-7-9-11-13-15-17-19-18-16-14-12-10-8-6-4-2/h19H,3-18H2,1-2H3
(4)Std. InChIKey: MFHKEJIIHDNPQE-UHFFFAOYSA-N