(S)-tert-Butyl 2-(cyanomethyl)pyrrolidine-1-carboxylate supplier

Name
N-BOC-(2S)-PYRR(2-CHCN)
EINECS
CAS No. 142253-50-7
Article Data17
CAS DataBase
Density 1.062 g/cm³
Solubility
Melting Point
Formula C₁₁H₁₈N₂O₂
Boiling Point 327.375 °C at 760 mmHg
Molecular Weight 210.276
Flash Point 151.791 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 1-Pyrrolidinecarboxylicacid, 2-(cyanomethyl)-, 1,1-dimethylethyl ester, (S)-;1-pyrrolidinecarboxylic acid, 2-(cyanomethyl)-, 1,1-dimethylethyl ester, (2S)-;
PSA 53.33000
LogP 2.23748

(S)-tert-Butyl 2-(cyanomethyl)pyrrolidine-1-carboxylate Specification

The CAS register number of (S)-tert-Butyl 2-(cyanomethyl)pyrrolidine-1-carboxylate is 142253-50-7. It also can be called as 1-Pyrrolidinecarboxylicacid, 2-(cyanomethyl)-, 1,1-dimethylethyl ester, (2S)- and the systematic name about this chemical is tert-butyl (2S)-2-(cyanomethyl)pyrrolidine-1-carboxylate. The molecular formula about this chemical is C₁₁H₁₈N₂O₂and the molecular weight is 210.27.

Physical properties about (S)-tert-Butyl 2-(cyanomethyl)pyrrolidine-1-carboxylate are: (1)ACD/LogP: 1.23; (2)ACD/LogD (pH 5.5): 1; (3)ACD/LogD (pH 7.4): 1; (4)ACD/BCF (pH 5.5): 2; (5)ACD/BCF (pH 7.4): 2; (6)ACD/KOC (pH 5.5): 59; (7)ACD/KOC (pH 7.4): 59; (8)#H bond acceptors: 4; (9)#Freely Rotating Bonds: 3; (10)Polar Surface Area: 53.33Å²; (11)Index of Refraction: 1.478; (12)Molar Refractivity: 56.068 cm³; (13)Molar Volume: 197.914 cm³; (14)Polarizability: 22.227x10^-24cm³; (15)Surface Tension: 39.605 dyne/cm; (16)Enthalpy of Vaporization: 56.967 kJ/mol; (17)Boiling Point: 327.375 °C at 760 mmHg.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OC(C)(C)C)N1[C@@H](CCC1)CC#N
(2)InChI: InChI=1/C11H18N2O2/c1-11(2,3)15-10(14)13-8-4-5-9(13)6-7-12/h9H,4-6,8H2,1-3H3/t9-/m0/s1
(3)InChIKey: GSNDDHMLFYORQI-VIFPVBQEBK
(4)Std. InChI: InChI=1S/C11H18N2O2/c1-11(2,3)15-10(14)13-8-4-5-9(13)6-7-12/h9H,4-6,8H2,1-3H3/t9-/m0/s1
(5)Std. InChIKey: GSNDDHMLFYORQI-VIFPVBQESA-N

Product Name

N-BOC-(2S)-PYRR(2-CHCN)

(S)-tert-Butyl 2-(cyanomethyl)pyrrolidine-1-carboxylate Specification

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