Carbamic acid,N-[(1S)-3-amino-1-methylpropyl]-, 1,1-dimethylethyl ester (176982-57-3)

The (S)-3-Boc-aminobutylamine hydrochloride, with CAS registry number 176982-57-3, belongs to the following product category: N-boc. It has the systematic name of tert-butyl [(1S)-3-amino-1-methylpropyl]carbamate. Besides this, it is also called carbamic acid, N-[(1S)-3-amino-1-methylpropyl]-, 1,1-dimethylethyl ester. And the chemical formula of this chemical is C₉H₂₀N₂O_2.

Physical properties of (S)-3-Boc-aminobutylamine hydrochloride: (1)ACD/LogP: 1.11; (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: 6; (10)Polar Surface Area: 64.35 Å²; (11)Index of Refraction: 1.455; (12)Molar Refractivity: 52.57 cm³; (13)Molar Volume: 193.4 cm³; (14)Polarizability: 20.84×10^-24cm³; (15)Surface Tension: 33.1 dyne/cm; (16)Enthalpy of Vaporization: 52.15 kJ/mol; (17)Vapour Pressure: 0.00333 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: CC(C)(C)OC(=O)N[C@@H](C)CCN
(2)InChI: InChI=1/C9H20N2O2/c1-7(5-6-10)11-8(12)13-9(2,3)4/h7H,5-6,10H2,1-4H3,(H,11,12)/t7-/m0/s1
(3)InChIKey: JOFFSNZHLGGAJC-ZETCQYMHBV
(4)Std. InChI: InChI=1S/C9H20N2O2/c1-7(5-6-10)11-8(12)13-9(2,3)4/h7H,5-6,10H2,1-4H3,(H,11,12)/t7-/m0/s1
(5)Std. InChIKey: JOFFSNZHLGGAJC-ZETCQYMHSA-N