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| CAS No.: | 65915-94-8 |
|---|---|
| Name: | N-BOC-1,6-DIAMINO-HEXANE HYDROCHLORIDE |
| Article Data: | 4 |
| Molecular Structure: | |
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| Formula: | C11H24N2O2.HCl |
| Molecular Weight: | 252.785 |
| Synonyms: | Carbamicacid, (6-aminohexyl)-, 1,1-dimethylethyl ester, monohydrochloride (9CI);N-BOC-1,6-diaminohexane hydrochloride;N-BOC-hexane-1,6-diamine hydrochloride;N-tert-Butoxycarbonyl-1,6-diaminohexane hydrochloride;N-tert-Butyloxycarbonyl-1,6-diaminohexane hydrochloride;tert-ButylN-(6-aminohexyl)carbamate hydrochloride; |
| EINECS: | 265-976-4 |
| Melting Point: | 162-164 °C(lit.) |
| Boiling Point: | 325.3 °C at 760 mmHg |
| Flash Point: | 150.5 °C |
| Appearance: | White to cream colored crystalline powder |
| Hazard Symbols: |
 XiXi
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| Risk Codes: | 36/37/38 |
| Safety: | 22-24/25 |
| PSA: | 64.35000 |
| LogP: | 3.92340 |
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Specification
The N-Boc-1,6-hexanediamine hydrochloride is an organic compound with the formula C11H24N2O2.HCl. The IUPAC name of this chemical is tert-butyl N-(6-aminohexyl)carbamate hydrochloride. With the CAS registry number 65915-94-8, it is also named as N-tert-Butoxycarbonyl-1,6-diaminohexane hydrochloride. The product's category is Amino Acids. Besides, it is a white to cream colored crystalline powder, which should be stored at temperature of 2-8°C.
Physical properties about N-Boc-1,6-hexanediamine hydrochloride are: (1)ACD/LogP: 1.82; (2)ACD/LogD (pH 5.5): -1.27; (3)ACD/LogD (pH 7.4): -1.03; (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: 4; (9)#H bond donors: 3; (10)#Freely Rotating Bonds: 9; (11)Polar Surface Area: 32.78 Å2; (12)Flash Point: 150.5 °C; (13)Enthalpy of Vaporization: 56.74 kJ/mol; (14)Boiling Point: 325.3 °C at 760 mmHg; (15)Vapour Pressure: 0.000233 mmHg at 25°C.
Preparation: this chemical can be prepared by 1-Azido-6-(tert-butoxycarbonylamino)hexane. This reaction will need reagent H2 and CHCl3 , catalyst Pd-C and solvent methanol. The reaction time is 1 hour with reaction Pressure of 1551.4. The yield is about 91%.
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Uses of N-Boc-1,6-hexanediamine hydrochloride: it can be used to produce (6-acetylamino-hexyl)-carbamic acid tert-butyl ester. It will need reagent pyridine and solvent CH2Cl2 with reaction time of 24 hours. The yield is about 74.3%.
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When you are using this chemical, please be cautious about it as the following:
This chemical is irritating to eyes, respiratory system and skin. When you are using it, avoid contact with skin and eyes and do not breathe dust.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OC(C)(C)C)NCCCCCCN.Cl
(2)InChI: InChI=1/C11H24N2O2.ClH/c1-11(2,3)15-10(14)13-9-7-5-4-6-8-12;/h4-9,12H2,1-3H3,(H,13,14);1H
(3)InChIKey: JSBWQIZQJOQPFN-UHFFFAOYAC
(4)Std. InChI: InChI=1S/C11H24N2O2.ClH/c1-11(2,3)15-10(14)13-9-7-5-4-6-8-12;/h4-9,12H2,1-3H3,(H,13,14);1H
(5)Std. InChIKey: JSBWQIZQJOQPFN-UHFFFAOYSA-N