3-Amino-1-Boc-pyrrolidine-3-carboxylic acid supplier

Name
3-AMINO-PYRROLIDINE-1,3-DICARBOXYLIC ACID 1-TERT-BUTYL ESTER
EINECS
CAS No. 862372-66-5
Density 1.243 g/cm³
Solubility
Melting Point
Formula C₁₀H₁₈N₂O₄
Boiling Point 365.2 °C at 760 mmHg
Molecular Weight 230.26
Flash Point 174.7 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 3-Amino-1-(tert-butoxycarbonyl)pyrrolidine-3-carboxylicacid;3-amino-1-tert-butoxycarbonyl-pyrrolidine-3-carboxylic acid;1,3-pyrrolidinedicarboxylic acid, 3-amino-, 1-(1,1-dimethylethyl) ester;3-Amino-1-Boc-pyrrolidine-3-carboxylic acid;
PSA 92.86000
LogP 1.04750

3-Amino-1-Boc-pyrrolidine-3-carboxylic acid Specification

The 3-Amino-1-Boc-pyrrolidine-3-carboxylic acid, with the CAS registry number 862372-66-5, has the systematic name of 3-amino-1-tert-butoxycarbonyl-pyrrolidine-3-carboxylic acid. It belongs to the product category of Pharmacetical. And the molecular formula of the chemical is C₁₀H₁₈N₂O₄.

The characteristics of 3-Amino-1-Boc-pyrrolidine-3-carboxylic acid are as followings: (1)ACD/LogP: 0.16; (2)# of Rule of 5 Violations: 0 ; (3)#H bond acceptors: 6; (4)#H bond donors: 3; (5)#Freely Rotating Bonds: 4; (6)Polar Surface Area: 92.86 Å²; (7)Index of Refraction: 1.52; (8)Molar Refractivity: 56.39 cm³; (9)Molar Volume: 185.2 cm³; (10)Polarizability: 22.35×10^-24cm³; (11)Surface Tension: 51.9 dyne/cm; (12)Density: 1.243 g/cm³; (13)Flash Point: 174.7 °C; (14)Enthalpy of Vaporization: 67.16 kJ/mol; (15)Boiling Point: 365.2 °C at 760 mmHg; (16)Vapour Pressure: 2.5E-06 mmHg at 25°C.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: CC(C)(C)OC(=O)N1CCC(N)(C1)C(O)=O
(2)InChI: InChI=1/C10H18N2O4/c1-9(2,3)16-8(15)12-5-4-10(11,6-12)7(13)14/h4-6,11H2,1-3H3,(H,13,14)
(3)InChIKey: RBVXSBGDNJDEIF-UHFFFAOYAV

Product Name

3-AMINO-PYRROLIDINE-1,3-DICARBOXYLIC ACID 1-TERT-BUTYL ESTER

3-Amino-1-Boc-pyrrolidine-3-carboxylic acid Specification

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