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Carbamic acid,[(1S)-4-hydroxy-1-(hydroxymethyl)butyl]-, 1,1-dimethylethyl ester (9CI)

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Name

Carbamic acid,[(1S)-4-hydroxy-1-(hydroxymethyl)butyl]-, 1,1-dimethylethyl ester (9CI)

EINECS N/A
CAS No. 162955-48-8 Density 1.089 g/cm3
PSA 78.79000 LogP 1.03540
Solubility N/A Melting Point 59-62 °C(lit.)
Formula C10H21NO4 Boiling Point 399 °C at 760 mmHg
Molecular Weight 219.281 Flash Point 195.1 °C
Transport Information N/A Appearance N/A
Safety 26-36 Risk Codes 36/37/38
Molecular Structure Molecular Structure of 162955-48-8 ((S)-(-)-N-Boc-2-Amino-1,5-pentanediol) Hazard Symbols IrritantXi
Synonyms

Carbamicacid, [4-hydroxy-1-(hydroxymethyl)butyl]-, 1,1-dimethylethyl ester, (S)-;

Article Data 17

Carbamic acid,[(1S)-4-hydroxy-1-(hydroxymethyl)butyl]-, 1,1-dimethylethyl ester (9CI) Specification

The Carbamic acid,[(1S)-4-hydroxy-1-(hydroxymethyl)butyl]-, 1,1-dimethylethyl ester (9CI) is an organic compound with the formula C10H21NO4. The IUPAC name of this chemical is Tert-butyl N-[(2S)-1,5-dihydroxypentan-2-yl]carbamate. With the CAS registry number 162955-48-8, it is also named as (S)-(-)-2-(N-Boc-amino)-1,5-pentanediol. The product's categories are N-BOC; Amino alcohols; Chiral building blocks; Organic building blocks. Besides, it should be stored in a sealed, lightproof place.

Physical properties about Carbamic acid,[(1S)-4-hydroxy-1-(hydroxymethyl)butyl]-, 1,1-dimethylethyl ester (9CI) are: (1)ACD/LogP: 0.20; (2)ACD/LogD (pH 5.5): 0.2; (3)ACD/LogD (pH 7.4): 0.2; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 30.42; (7)ACD/KOC (pH 7.4): 30.42; (8)#H bond acceptors: 5; (9)#H bond donors: 3; (10)#Freely Rotating Bonds: 9; (11)Polar Surface Area: 48 Å2; (12)Index of Refraction: 1.475; (13)Molar Refractivity: 56.74 cm3; (14)Molar Volume: 201.3 cm3; (15)Polarizability: 22.49×10-24 cm3; (16)Surface Tension: 40.7 dyne/cm; (17)Density: 1.089 g/cm3; (18)Flash Point: 195.1 °C; (19)Enthalpy of Vaporization: 75.1 kJ/mol; (20)Boiling Point: 399 °C at 760 mmHg; (21)Vapour Pressure: 5.02E-08 mmHg at 25 °C.

When you are using this chemical, please be cautious about it as the following:
It is irritating to eyes, respiratory system and skin. When you are using it, wear suitable protective clothing. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1)InChI: InChI=1/C10H21NO4/c1-10(2,3)15-9(14)11-8(7-13)5-4-6-12/h8,12-13H,4-7H2,1-3H3,(H,11,14)/t8-/m0/s1
(2)InChIKey: UBNNKNSFDFANKW-QMMMGPOBBK
(3)Std. InChI: InChI=1S/C10H21NO4/c1-10(2,3)15-9(14)11-8(7-13)5-4-6-12/h8,12-13H,4-7H2,1-3H3,(H,11,14)/t8-/m0/s1
(4)Std. InChIKey: UBNNKNSFDFANKW-QMMMGPOBSA-N

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