| Identification | |
| Name: | Carbamic acid,N-[(1S)-3-hydroxy-1-(hydroxymethyl)propyl]-, 1,1-dimethylethyl ester |
| Synonyms: | Carbamic acid,[(1S)-3-hydroxy-1-(hydroxymethyl)propyl]-, 1,1-dimethylethyl ester (9CI);Carbamic acid, [3-hydroxy-1-(hydroxymethyl)propyl]-, 1,1-dimethylethyl ester,(S)-; |
| CAS: | 128427-10-1 |
| Molecular Formula: | C9H19NO4 |
| Molecular Weight: | 205.25 |
| InChI: | InChI=1/C9H19NO4/c1-9(2,3)14-8(13)10-7(6-12)4-5-11/h7,11-12H,4-6H2,1-3H3,(H,10,13)/t7-/m0/s1 |
| Molecular Structure: | ![(C9H19NO4) Carbamic acid,[(1S)-3-hydroxy-1-(hydroxymethyl)propyl]-, 1,1-dimethylethyl ester (9CI);Carbamic acid...](https://img.guidechem.com/casimg/128427-10-1.gif) |
| Properties | |
| Density: | 1.11 g/cm3 |
| Refractive index: | 1.475 |
| Alpha: | -8 º (C=1 IN CHLOROFORM) |
| Appearance: | WHITE TO BEIGE POWDER |
| Specification: |
The (S)-(-)-2-(Boc-Amino)-1,4-butanediol, with CAS registry number 128427-10-1, belongs to the following product categories: (1)N-BOC; (2)API Intermediates; (3)Amino Alcohols; (4)Chiral Building Blocks; (5)Organic Building Blocks. It has the systematic name of tert-butyl [(1S)-3-hydroxy-1-(hydroxymethyl)propyl]carbamate. And this chemical is a kind of white crystalline powder. Physical properties of (S)-(-)-2-(Boc-Amino)-1,4-butanediol: (1)ACD/LogP: 0.00; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0; (4)ACD/LogD (pH 7.4): 0; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 23.85; (8)ACD/KOC (pH 7.4): 23.85; (9)#H bond acceptors: 5; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 8; (12)Polar Surface Area: 48 Å2; (13)Index of Refraction: 1.475; (14)Molar Refractivity: 52.1 cm3; (15)Molar Volume: 184.8 cm3; (16)Polarizability: 20.65×10-24cm3; (17)Surface Tension: 41.4 dyne/cm; (18)Enthalpy of Vaporization: 70.75 kJ/mol; (19)Vapour Pressure: 8.28E-07 mmHg at 25°C. You can still convert the following datas into molecular structure: |
| Safety Data | |
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