Basic information
- Name:
Carbamic acid,N-(8-aminooctyl)-, 1,1-dimethylethyl ester
- Superlist Name:
- 1-Boc-1,8-diaminooctane
- CAS No.:
88829-82-7
- Molecular Structure:
- Formula:
- C13H28N2O2
- Molecular Weight:
- 244.37
- Synonyms:
- Carbamicacid, (8-aminooctyl)-, 1,1-dimethylethyl ester (9CI);Boc-1,8-diaminooctane;tert-Butyl (8-aminooctyl)carbamate;
- Density:
- 0.942 g/cm3
- Boiling Point:
- 356.3 °C at 760 mmHg
- Flash Point:
- 169.3 °C
- Hazard Symbols:
Xi
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Specification
The 1-Boc-1,8-diaminooctane, with CAS registry number 88829-82-7, belongs to the following product category: Pharmacetical. It has the systematic name of tert-butyl (8-aminooctyl)carbamate. Besides this, it is also called 1,8-Diaminooctane, N1-BOC protected 95%. And the chemical formula of this chemical is C13H28N2O2.
Physical properties of 1-Boc-1,8-diaminooctane: (1)ACD/LogP: 2.88; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.21; (4)ACD/LogD (pH 7.4): 0.01; (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): 1.18; (9)#H bond acceptors: 4; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 11; (12)Polar Surface Area: 32.78 Å2; (13)Index of Refraction: 1.461; (14)Molar Refractivity: 71.14 cm3; (15)Molar Volume: 259.1 cm3; (16)Polarizability: 28.2×10-24cm3; (17)Surface Tension: 34 dyne/cm; (18)Enthalpy of Vaporization: 60.15 kJ/mol; (19)Vapour Pressure: 2.96E-05 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OC(C)(C)C)NCCCCCCCCN
(2)InChI: InChI=1/C13H28N2O2/c1-13(2,3)17-12(16)15-11-9-7-5-4-6-8-10-14/h4-11,14H2,1-3H3,(H,15,16)
(3)InChIKey: BEHVGNKIRNVBPF-UHFFFAOYAH
(4)Std. InChI: InChI=1S/C13H28N2O2/c1-13(2,3)17-12(16)15-11-9-7-5-4-6-8-10-14/h4-11,14H2,1-3H3,(H,15,16)
(5)Std. InChIKey: BEHVGNKIRNVBPF-UHFFFAOYSA-N
