tert-Butyl (3R)-3-(methylamino)pyrrolidine-1-carboxylate supplier

Name
1-Pyrrolidinecarboxylicacid,3-(methylamino)-,1,1-dimethylethylester,(R)-(9CI)
EINECS
CAS No. 199336-83-9
Article Data3
CAS DataBase
Density 1.03 g/cm³
Solubility
Melting Point
Formula C₁₀H₂₀N₂O₂
Boiling Point 269.4 °C at 760 mmHg
Molecular Weight 200.281
Flash Point 116.8 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 1-Pyrrolidinecarboxylicacid, 3-(methylamino)-, 1,1-dimethylethyl ester, (R)- (9CI);(R)-3-(Methylamino)pyrrolidine-1-carboxylic acid tert-butyl ester;
PSA 55.40000
LogP 2.71220

tert-Butyl (3R)-3-(methylamino)pyrrolidine-1-carboxylate Specification

The tert-Butyl (3R)-3-(methylamino)pyrrolidine-1-carboxylate, with the CAS registry number 199336-83-9, has the systematic name of 1-pyrrolidinecarboxylic acid, 3-(methylamino)-, 1,1-dimethylethyl ester, (3R)-. It belongs to the product categoty of Aminoacid. And the molecular formula of the chemical is C₁₀H₂₀N₂O₂.

The characteristics of this chemical are as followings: (1)ACD/LogP: 0.51; (2)# of Rule of 5 Violations: 0 ; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 1; (6)ACD/KOC (pH 7.4): 1; (7)#H bond acceptors: 4; (8)#H bond donors: 1; (9)#Freely Rotating Bonds: 3; (10)Polar Surface Area: 41.57 Å²; (11)Index of Refraction: 1.485; (12)Molar Refractivity: 55.67 cm³; (13)Molar Volume: 194 cm³; (14)Polarizability: 22.07 ×10^-24cm³; (15)Surface Tension: 36 dyne/cm; (16)Density: 1.03 g/cm³; (17)Flash Point: 116.8 °C; (18)Enthalpy of Vaporization: 50.76 kJ/mol; (19)Boiling Point: 269.4 °C at 760 mmHg; (20)Vapour Pressure: 0.00725 mmHg at 25°C.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: CC(C)(C)OC(=O)N1CC[C@H](C1)NC
(2)InChI: InChI=1/C10H20N2O2/c1-10(2,3)14-9(13)12-6-5-8(7-12)11-4/h8,11H,5-7H2,1-4H3/t8-/m1/s1
(3)InChIKey: OKUCEQDKBKYEJY-MRVPVSSYBV

Product Name

1-Pyrrolidinecarboxylicacid,3-(methylamino)-,1,1-dimethylethylester,(R)-(9CI)

tert-Butyl (3R)-3-(methylamino)pyrrolidine-1-carboxylate Specification

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