Name: 1-AMINOHEPTADECANE
SKU: 4200-95-7

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Basic Information

Molecular Structure:
CAS No.:	4200-95-7
Name:	1-AMINOHEPTADECANE
Article Data:	20

Formula:	C₁₇H₃₇N
Molecular Weight:	255.487
Synonyms:	Heptadecylamine(6CI,7CI,8CI);1-Aminoheptadecane;Margarylamine;NSC 91524;n-Heptadecylamine;
EINECS:	224-103-7
Density:	0.816 g/cm³
Melting Point:	46 °C
Boiling Point:	335.7 °C at 760 mmHg
Flash Point:	146.2 °C
Hazard Symbols:	Xi
Risk Codes:	R20/21/22; R36/37/38
PSA:	26.02000
LogP:	6.51680

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Specification

The 1-Heptadecanamine is an organic compound with the formula C₁₇H₃₇N. The IUPAC name of this chemical is heptadecan-1-amine. With the CAS registry number 4200-95-7, it is also named as 1-Aminoheptadecane. The product's categories are Alkylamines; Monofunctional & alpha,omega-Bifunctional Alkanes; Monofunctional Alkanes. Besides, it should be stored in a dark cool and well-ventilated place.

Physical properties about 1-Heptadecanamine are: (1)ACD/LogP: 7.84; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 4.74; (4)ACD/LogD (pH 7.4): 4.96; (5)ACD/BCF (pH 5.5): 426.55; (6)ACD/BCF (pH 7.4): 708.96; (7)ACD/KOC (pH 5.5): 350.05; (8)ACD/KOC (pH 7.4): 581.82; (9)#H bond acceptors: 1; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 16; (12)Polar Surface Area: 3.24 Å²; (13)Index of Refraction: 1.451; (14)Molar Refractivity: 84.34 cm³; (15)Molar Volume: 312.8 cm³; (16)Polarizability: 33.43×10^-24cm³; (17)Surface Tension: 30.8 dyne/cm; (18)Density: 0.816 g/cm³; (19)Flash Point: 146.2 °C; (20)Enthalpy of Vaporization: 57.88 kJ/mol; (21)Boiling Point: 335.7 °C at 760 mmHg; (22)Vapour Pressure: 0.000118 mmHg at 25°C.

Preparation of 1-Heptadecanamine: this chemical can be prepared by bis(1-nitrosoheptadecane). This reaction will need reagent H₂ and catalyst PtO₂. The yield is about 75%.

1-Heptadecanamine can be prepared by bis(1-nitrosoheptadecane)

Uses of 1-Heptadecanamine: it can be used to produce N-heptadecyl-stearamide at temperature of 160 - 180 °C. The reaction time of 30 min. The yield is about 86%.

1-Heptadecanamine and octadecanoic acid can be used to produce N-heptadecyl-stearamide

You can still convert the following datas into molecular structure:
(1)SMILES: NCCCCCCCCCCCCCCCCC
(2)InChI: InChI=1/C17H37N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18/h2-18H2,1H3
(3)InChIKey: KAJZYANLDWUIES-UHFFFAOYAA
(4)Std. InChI: InChI=1S/C17H37N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18/h2-18H2,1H3
(5)Std. InChIKey: KAJZYANLDWUIES-UHFFFAOYSA-N