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CAS No.: | 255735-88-7 |
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Name: | Carbamic acid, (2-aminopropyl)-, 1,1-dimethylethyl ester (9CI) |
Article Data: | 14 |
Molecular Structure: | |
Formula: | C8H18N2O2 |
Molecular Weight: | 174.243 |
Synonyms: | Carbamicacid, (2-aminopropyl)-, 1,1-dimethylethyl ester (9CI);(2-Aminopropyl)carbamicacid tert-butyl ester;2-Amino-1-[[(1,1-dimethylethoxy)carbonyl]amino]propane;N-(2-Aminopropyl)carbamate tert-butyl ester;tert-Butyl(2-aminopropyl)carbamate; |
Density: | 0.984g/cm3 |
Boiling Point: | 263.719 °C at 760 mmHg |
Flash Point: | 113.293 °C |
PSA: | 64.35000 |
LogP: | 1.94950 |
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The (2-Aminopropyl)carbamic acid tert-butyl ester, with CAS registry number 255735-88-7, belongs to the following product category: N-boc. It has the systematic name of tert-butyl (2-aminopropyl)carbamate. Besides this, it is also called carbamic acid, N-(2-aminopropyl)-, 1,1-dimethylethyl ester. And the chemical formula of this chemical is C8H18N2O2.
Physical properties of (2-Aminopropyl)carbamic acid tert-butyl ester: (1)ACD/LogP: 0.74; (2)# of Rule of 5 Violations: 0; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 1; (6)ACD/KOC (pH 7.4): 1; (7)#H bond acceptors: 4; (8)#H bond donors: 3; (9)#Freely Rotating Bonds: 5; (10)Polar Surface Area: 64.35 Å2; (11)Index of Refraction: 1.454; (12)Molar Refractivity: 47.941 cm3; (13)Molar Volume: 176.99 cm3; (14)Polarizability: 19.005×10-24cm3; (15)Surface Tension: 33.133 dyne/cm; (16)Enthalpy of Vaporization: 50.156 kJ/mol; (17)Vapour Pressure: 0.01 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: CC(C)(C)OC(=O)NCC(C)N
(2)InChI: InChI=1/C8H18N2O2/c1-6(9)5-10-7(11)12-8(2,3)4/h6H,5,9H2,1-4H3,(H,10,11)
(3)InChIKey: UYNSYFDLTSSUNI-UHFFFAOYAV
(4)Std. InChI: InChI=1S/C8H18N2O2/c1-6(9)5-10-7(11)12-8(2,3)4/h6H,5,9H2,1-4H3,(H,10,11)
(5)Std. InChIKey: UYNSYFDLTSSUNI-UHFFFAOYSA-N