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CAS No.: | 51857-17-1 |
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Name: | N-tert-Butoxycarbonyl-1,6-hexanediamine |
Article Data: | 109 |
Molecular Structure: | |
Formula: | C11H24N2O2 |
Molecular Weight: | 216.324 |
Synonyms: | Carbamicacid, (6-aminohexyl)-, 1,1-dimethylethyl ester (9CI);(6-Aminohexyl)carbamicacid tert-butyl ester;1-((tert-Butoxycarbonyl)amino)-6-aminohexane;6-((tert-Butoxycarbonyl)amino)-1-hexylamine;6-(tert-Butoxycarbonylamino)-1-hexanamine;6-Aminohexylcarbamic acid tert-butylester;6-[(tert-Butyloxycarbonyl)amino]hexylamine;N-(tert-Butoxycarbonyl)-1,6-hexanediamine;N-(tert-Butoxycarbonyl)hexamethylenediamine;N-BOC-1,6-diaminohexane;tert-Butyl (6-aminohexyl)carbamate;tert-Butyl N-(6-aminohexyl)carbamate; |
EINECS: | -0 |
Density: | 0.965 g/cm3 |
Boiling Point: | 106-110 °C (0.3 mmHg) |
Flash Point: | 125 °C |
Appearance: | off-white solid |
Hazard Symbols: | C |
Risk Codes: | 34 |
Safety: | 26-36/37/39-45 |
Transport Information: | UN 2735 |
PSA: | 64.35000 |
LogP: | 3.12140 |
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This chemical is called Carbamic acid, N-(6-aminohexyl)-, 1,1-dimethylethyl ester, and its systematic name is tert-butyl (6-aminohexyl)carbamate. With the molecular formula of C11H24N2O2, its molecular weight is 216.32. The CAS registry number of this chemical is 51857-17-1. Additionally, its product categories are All Aliphatics; Monoprotected Diaminoalkanes; N-Boc-diaminoalkanes; Aliphatics; Amines.
Other characteristics of the Carbamic acid, N-(6-aminohexyl)-, 1,1-dimethylethyl ester can be summarised as followings: (1)ACD/LogP: 1.82; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.27; (4)ACD/LogD (pH 7.4): -1.03; (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): 1; (9)#H bond acceptors: 4; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 9; (12)Polar Surface Area: 32.78 Å2; (13)Index of Refraction: 1.459; (14)Molar Refractivity: 61.88 cm3; (15)Molar Volume: 226.1 cm3; (16)Polarizability: 24.53×10-24cm3; (17)Surface Tension: 34.1 dyne/cm; (18)Density: 0.956 g/cm3; (19)Flash Point: 150.5 °C; (20)Enthalpy of Vaporization: 56.74 kJ/mol; (21)Boiling Point: 325.3 °C at 760 mmHg; (22)Vapour Pressure: 0.000233 mmHg at 25°C.
Uses of this chemical: The Carbamic acid, N-(6-aminohexyl)-, 1,1-dimethylethyl ester could react with carbonyl dichloride, and obtain the 1,3-Bis[6-(Boc-amino)hexyl]urea. This reaction needs the reagent of triethylamine, and the solvent of toluene. The yield is 65 %.
When you are using this chemical, please be cautious about it as the following: This chemical causes burns. You should wear suitable protective clothing to avoid contacting with skin and eyes. In case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.
You can still convert the following datas into molecular structure:
1.SMILES: O=C(OC(C)(C)C)NCCCCCCN
2.InChI: InChI=1/C11H24N2O2/c1-11(2,3)15-10(14)13-9-7-5-4-6-8-12/h4-9,12H2,1-3H3,(H,13,14)
3.InChIKey: RVZPDKXEHIRFPM-UHFFFAOYAB