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255735-88-7

Basic Information
CAS No.: 255735-88-7
Name: Carbamic acid, (2-aminopropyl)-, 1,1-dimethylethyl ester (9CI)
Article Data: 14
Molecular Structure:
Molecular Structure of 255735-88-7 (Carbamic acid, (2-aminopropyl)-, 1,1-dimethylethyl ester (9CI))
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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Specification

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