(2S,4S)-1-tert-Butyl 2-methyl 4-aminopyrrolidine-1,2-dicarboxylate hydrochloride supplier

Name
(2S,4S)-1-tert-Butyl 2-methyl 4-aminopyrrolidine-1,2-dicarboxylate hydrochloride
EINECS
CAS No. 171110-72-8
Density
Solubility
Melting Point ca 185℃
Formula C₁₁H₂₀N₂O₄^.HCl
Boiling Point
Molecular Weight 280.75
Flash Point
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 1,2-Pyrrolidinedicarboxylicacid, 4-amino-, 1-(1,1-dimethylethyl) 2-methyl ester, monohydrochloride,(2S,4S)- (9CI);1,2-Pyrrolidinedicarboxylic acid, 4-amino-,1-(1,1-dimethylethyl) 2-methyl ester, monohydrochloride, (2S-cis)-;
PSA 81.86000
LogP 1.93630

(2S,4S)-1-tert-Butyl 2-methyl 4-aminopyrrolidine-1,2-dicarboxylate hydrochloride Specification

The (2S,4S)-1-tert-Butyl 2-methyl 4-aminopyrrolidine-1,2-dicarboxylate hydrochloride is an organic compound with the formula C₁₁H₂₀N₂O₄^.HCl. The systematic name of this chemical is 1-tert-butyl 2-methyl (2S,4R)-4-aminopyrrolidine-1,2-dicarboxylate hydrochloride. With the CAS registry number 171110-72-8, it is also named as 1,2-Pyrrolidinedicarboxylic acid, 4-amino-, 1-(1,1-dimethylethyl) 2-methyl ester, (2S,4R)-, hydrochloride (1:1).

Physical properties about (2S,4S)-1-tert-Butyl 2-methyl 4-aminopyrrolidine-1,2-dicarboxylate hydrochloride are: (1)ACD/LogP: 0.10; (2)ACD/BCF (pH 5.5): 1; (3)ACD/BCF (pH 7.4): 1; (4)ACD/KOC (pH 5.5): 1; (5)ACD/KOC (pH 7.4): 1; (6)#H bond acceptors: 6; (7)#H bond donors: 2; (8)#Freely Rotating Bonds: 5; (9)Polar Surface Area: 81.86 Å²; (10)Flash Point: 167.4 °C; (11)Enthalpy of Vaporization: 61 kJ/mol; (12)Boiling Point: 353.3 °C at 760 mmHg; (13)Vapour Pressure: 2.54E-05 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Cl.CC(C)(C)OC(=O)N1C[C@H](N)C[C@H]1C(=O)OC
(2)InChI: InChI=1/C11H20N2O4.ClH/c1-11(2,3)17-10(15)13-6-7(12)5-8(13)9(14)16-4;/h7-8H,5-6,12H2,1-4H3;1H/t7-,8+;/m1./s1
(3)InChIKey: KFYCQKLSGMAVQH-WLYNEOFIBR
(4)Std. InChI: InChI=1S/C11H20N2O4.ClH/c1-11(2,3)17-10(15)13-6-7(12)5-8(13)9(14)16-4;/h7-8H,5-6,12H2,1-4H3;1H/t7-,8+;/m1./s1
(5)Std. InChIKey: KFYCQKLSGMAVQH-WLYNEOFISA-N

Product Name

(2S,4S)-1-tert-Butyl 2-methyl 4-aminopyrrolidine-1,2-dicarboxylate hydrochloride

(2S,4S)-1-tert-Butyl 2-methyl 4-aminopyrrolidine-1,2-dicarboxylate hydrochloride Specification

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