(R)-1-Cbz-3-Aminopyrrolidine hydrochloride supplier

Name
(R)-1-Cbz-3-Aminopyrrolidine hydrochloride
EINECS
CAS No. 870621-17-3
Article Data1
CAS DataBase
Density
Solubility Soluble in water
Melting Point
Formula C₁₂H₁₆N₂O₂^.HCl
Boiling Point 381.7 °C at 760 mmHg
Molecular Weight 256.732
Flash Point 184.6 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 1-Pyrrolidinecarboxylicacid, 3-amino-, phenylmethyl ester, monohydrochloride, (3R)- (9CI);
PSA 55.56000
LogP 2.79640

(R)-1-Cbz-3-Aminopyrrolidine hydrochloride Specification

The (R)-1-Cbz-3-Aminopyrrolidine hydrochloride is an organic compound with the formula C₁₂H₁₆N₂O₂.HCl. The systematic name of this chemical is benzyl (3R)-3-aminopyrrolidine-1-carboxylate hydrochloride. With CAS registry number 870621-17-3, it is also named as (R)-3-Amino-pyrrolidine-1-carboxylic acid benzyl ester hydrochloride. The product's category is Pyrrole & Pyrrolidine & Pyrroline. Additionally, this chemical should be stored at room temperature.

The other characteristics of (R)-1-Cbz-3-Aminopyrrolidine hydrochloride can be summarized as: (1)ACD/LogP: 0.89; (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: 2; (9)#Freely Rotating Bonds: 4; (10)Polar Surface Area: 55.56 Å²; (11)Flash Point: 184.6 °C; (12)Enthalpy of Vaporization: 64.23 kJ/mol; (13)Boiling Point: 381.7 °C at 760 mmHg; (14)Vapour Pressure: 3.37E-06 mmHg at 25°C.

People can use the following data to convert to the molecule structure.
1. SMILES:N[C@@H]1CCN(C1)C(=O)OCc2ccccc2.Cl
2. InChI:InChI=1/C12H16N2O2.ClH/c13-11-6-7-14(8-11)12(15)16-9-10-4-2-1-3-5-10;/h1-5,11H,6-9,13H2;1H/t11-;/m1./s1
3. InChIKey:QNQVBYGRFHOBNO-RFVHGSKJBT
4. Std. InChI:InChI=1S/C12H16N2O2.ClH/c13-11-6-7-14(8-11)12(15)16-9-10-4-2-1-3-5-10;/h1-5,11H,6-9,13H2;1H/t11-;/m1./s1
5. Std. InChIKey:QNQVBYGRFHOBNO-RFVHGSKJSA-N

Product Name

(R)-1-Cbz-3-Aminopyrrolidine hydrochloride

(R)-1-Cbz-3-Aminopyrrolidine hydrochloride Specification

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