(S)-N-Boc-3-cyanomorpholine supplier

Name
(S)-4-Boc-3-cyanomorpholine
EINECS
CAS No. 1257856-86-2
Density 1.13 g/cm³
Solubility
Melting Point
Formula C₁₀H₁₆N₂O₃
Boiling Point 340.3 °C at 760 mmHg
Molecular Weight 212.25
Flash Point 159.6 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms tert-Butyl-(3S)-3-cyanmorpholin-4-carboxylat;4-Morpholinecarboxylic acid, 3-cyano-, 1,1-dimethylethyl ester, (3S)-;tert-Butyl (3S)-3-cyanomorpholine-4-carboxylate;
PSA 62.56000
LogP 1.08378

(S)-N-Boc-3-cyanomorpholine Specification

The (S)-N-Boc-3-cyanomorpholine with CAS registry number of 1257856-86-2 is also known as 4-Morpholinecarboxylic acid, 3-cyano-, 1,1-dimethylethyl ester, (3S)-. The systematic name is tert-butyl (3S)-3-cyanomorpholine-4-carboxylate. In addition, the formula is C₁₀H₁₆N₂O₃ and the molecular weight is 212.25.

Physical properties about (S)-N-Boc-3-cyanomorpholine are: (1)ACD/LogP: 0.06; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.06; (4)ACD/LogD (pH 7.4): 0.06; (5)#H bond acceptors: 5; (6)#H bond donors: 0; (7)#Freely Rotating Bonds: 2; (8)Index of Refraction: 1.488; (9)Molar Refractivity: 53.7 cm³; (10)Molar Volume: 186.3 cm³; (11)Surface Tension: 42.8 dyne/cm; (12)Density: 1.13 g/cm³; (13)Flash Point: 159.6 °C; (14)Enthalpy of Vaporization: 58.39 kJ/mol; (15)Boiling Point: 340.3 °C at 760 mmHg; (16)Vapour Pressure: 8.65E-05 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
1. SMILES:CC(C)(C)OC(=O)N1CCOCC1C#N
2. InChI:InChI=1/C10H16N2O3/c1-10(2,3)15-9(13)12-4-5-14-7-8(12)6-11/h8H,4-5,7H2,1-3H3/t8-/m0/s1
3. InChIKey:QSBSEJKNKHZYKD-QMMMGPOBBI
4. Std. InChI:InChI=1S/C10H16N2O3/c1-10(2,3)15-9(13)12-4-5-14-7-8(12)6-11/h8H,4-5,7H2,1-3H3/t8-/m0/s1
5. Std. InChIKey:QSBSEJKNKHZYKD-QMMMGPOBSA-N

Product Name

(S)-4-Boc-3-cyanomorpholine

(S)-N-Boc-3-cyanomorpholine Specification

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