CAS No.132945-76-7,(R)-1-Boc-3-cyanopyrrolidine Suppliers

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Basic Information

Molecular Structure:
CAS No.:	132945-76-7
Name:	(R)-1-Boc-3-cyanopyrrolidine
Article Data:	11

Formula:	C₁₀H₁₆N₂O₂
Molecular Weight:	196.249
Synonyms:	1-Pyrrolidinecarboxylicacid, 3-cyano-, 1,1-dimethylethyl ester, (R)-;
Density:	1.08 g/cm³
Boiling Point:	307.9 °C at 760 mmHg
Flash Point:	140 °C
Hazard Symbols:	Xn
Risk Codes:	36/37/38
Safety:	26-36
PSA:	53.33000
LogP:	1.70488

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Specification

The (R)-1-Boc-3-cyanopyrrolidine , with cas registry number of 132945-76-7, belongs to the categories of Pyrrole & Pyrrolidine & Pyrroline . Its IUPAC name and the systematic name are the same which is called tert-butyl (3R)-3-cyanopyrrolidine-1-carboxylate .

Physical properties of (R)-1-Boc-3-cyanopyrrolidine are: (1) ACD/LogP: 0.49 ; (2) # of Rule of 5 Violations: 0 ; (3) ACD/LogD (pH 5.5): 0.49 ; (4) ACD/LogD (pH 7.4): 0.49 ; (5) ACD/BCF (pH 5.5): 1.4 ; (6) ACD/BCF (pH 7.4): 1.4 ; (7) ACD/KOC (pH 5.5): 44.21 ; (8) ACD/KOC (pH 7.4): 44.21 ; (9) #H bond acceptors: 4 ; (10) #H bond donors: 0 ; (11) #Freely Rotating Bonds: 2 ; (12) Index of Refraction: 1.488 ; (13) Molar Refractivity: 51.96 cm³ ; (14) Molar Volume: 180 cm³ ; (15) Surface Tension: 41.2 dyne/cm ; (16) Density: 1.08 g/cm³ ; (17) Flash Point: 140 °C ; (18) Enthalpy of Vaporization: 54.86 kJ/mol ; (19) Boiling Point: 307.9 °C at 760 mmHg ; (20) Vapour Pressure: 0.000703 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1) SMILES:O=C(OC(C)(C)C)N1C[C@H](C#N)CC1 ;
(2) InChI:InChI=1/C10H16N2O2/c1-10(2,3)14-9(13)12-5-4-8(6-11)7-12/h8H,4-5,7H2,1-3H3/t8-/m0/s1 ;
(3) InChIKey:VDDMCMFPUSCJNA-QMMMGPOBBT