tert-Butyl N-(2-hydroxypropyl)carbamate supplier

Name
1-(BOC-AMINO)-2-PROPANOL
EINECS
CAS No. 95656-86-3
Article Data35
CAS DataBase
Density 1.026 g/cm³
Solubility
Melting Point
Formula C₈H₁₇NO₃
Boiling Point 276.441 °C at 760 mmHg
Molecular Weight 175.228
Flash Point 120.988 °C
Transport Information
Appearance
Safety 26-39
Risk Codes 25-41
Molecular Structure
Hazard Symbols T
Synonyms Carbamicacid, (2-hydroxypropyl)-, 1,1-dimethylethyl ester (9CI);(2-Hydroxypropyl)carbamic acid tert-butyl ester;1-((tert-Butoxycarbonyl)amino)-2-propanol;tert-Butyl(2-hydroxypropyl)carbamate;
PSA 58.56000
LogP 1.28280

tert-Butyl N-(2-hydroxypropyl)carbamate Specification

The Carbamic acid,N-(2-hydroxypropyl)-, 1,1-dimethylethyl ester is an organic compound with the formula C₈H₁₇NO₃. The systematic name of this chemical is tert-butyl (2-hydroxypropyl)carbamate. With the CAS registry number 95656-86-3, it is also named as (2-Hydroxy-propyl)-carbamic acid tert-butyl ester. The product's category is N-BOC. In addition, this product can be used as chemical reagent.

The other characteristics of Carbamic acid,N-(2-hydroxypropyl)-, 1,1-dimethylethyl ester can be summarized as: (1)ACD/LogP: 0.69; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1; (4)ACD/LogD (pH 7.4): 1; (5)ACD/BCF (pH 5.5): 3; (6)ACD/BCF (pH 7.4): 3; (7)ACD/KOC (pH 5.5): 68; (8)ACD/KOC (pH 7.4): 68; (9)#H bond acceptors: 4; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 58.56 Å²; (13)Index of Refraction: 1.45; (14)Molar Refractivity: 45.941 cm³; (15)Molar Volume: 170.819 cm³; (16)Polarizability: 18.212×10^-24 cm³; (17)Surface Tension: 33.95 dyne/cm; (18)Density: 1.026 g/cm³; (19)Flash Point: 120.988 °C; (20)Enthalpy of Vaporization: 59.778 kJ/mol; (21)Boiling Point: 276.441 °C at 760 mmHg; (22)Vapour Pressure: 0.001 mmHg at 25°C.

People can use the following data to convert to the molecule structure.
1. SMILES:O=C(OC(C)(C)C)NCC(O)C
2. InChI:InChI=1/C8H17NO3/c1-6(10)5-9-7(11)12-8(2,3)4/h6,10H,5H2,1-4H3,(H,9,11)
3. InChIKey:YNJCFDAODGKHAV-UHFFFAOYAM
4. Std. InChI:InChI=1S/C8H17NO3/c1-6(10)5-9-7(11)12-8(2,3)4/h6,10H,5H2,1-4H3,(H,9,11)
5. Std. InChIKey:YNJCFDAODGKHAV-UHFFFAOYSA-N

Product Name

1-(BOC-AMINO)-2-PROPANOL

tert-Butyl N-(2-hydroxypropyl)carbamate Specification

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