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109792-60-1

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Basic Information
CAS No.: 109792-60-1
Name: 1-Boc-1,12-diaminododecane
Article Data: 23
Molecular Structure:
Molecular Structure of 109792-60-1 (1-Boc-1,12-diaminododecane)
Formula: C17H36N2O2
Molecular Weight: 300.485
Synonyms: Carbamicacid, (12-aminododecyl)-, 1,1-dimethylethyl ester (9CI);tert-butyl (12-Aminododecyl)carbamate;Carbamic acid,N-(12-aminododecyl)-, 1,1-dimethylethyl ester;
Density: 0.924 g/cm3
Melting Point: 84-86 °C
Boiling Point: 409.2 °C at 760 mmHg
Flash Point: 201.3 °C
Hazard Symbols: IrritantXi
Risk Codes:  Xi:Irritant;
">  Xi:Irritant;
PSA: 64.35000
LogP: 5.46200
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Specification

The 1-Boc-1,12-diaminododecane, with the CAS registry number 109792-60-1, is also known as Carbamic acid,N-(12-aminododecyl)-, 1,1-dimethylethyl ester. It belongs to the product category of Pharmacetical. This chemical's molecular formula is C17H36N2O2 and molecular weight is 300.48. What's more, its systematic name is tert-butyl (12-aminododecyl)carbamate.

Physical properties of 1-Boc-1,12-diaminododecane are: (1)ACD/LogP: 5.01; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 1.91; (4)ACD/LogD (pH 7.4): 2.13; (5)ACD/BCF (pH 5.5): 3.02; (6)ACD/BCF (pH 7.4): 5.03; (7)ACD/KOC (pH 5.5): 10.13; (8)ACD/KOC (pH 7.4): 16.84; (9)#H bond acceptors: 4; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 15; (12)Polar Surface Area: 32.78 Å2; (13)Index of Refraction: 1.463; (14)Molar Refractivity: 89.67 cm3; (15)Molar Volume: 325.1 cm3; (16)Surface Tension: 34 dyne/cm; (17)Density: 0.924 g/cm3; (18)Flash Point: 201.3 °C; (19)Enthalpy of Vaporization: 66.13 kJ/mol; (20)Boiling Point: 409.2 °C at 760 mmHg; (21)Vapour Pressure: 6.61E-07 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OC(C)(C)C)NCCCCCCCCCCCCN
(2)InChI: InChI=1S/C17H36N2O2/c1-17(2,3)21-16(20)19-15-13-11-9-7-5-4-6-8-10-12-14-18/h4-15,18H2,1-3H3,(H,19,20)
(3)InChIKey: ZFSCBYAYUUFEPJ-UHFFFAOYSA-N