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170701-87-8

Basic Information
CAS No.: 170701-87-8
Name: Aziridine-1,2-dicarboxylic acid 1-benzyl ester 2-methyl ester
Article Data: 7
Molecular Structure:
Molecular Structure of 170701-87-8 (Aziridine-1,2-dicarboxylic acid 1-benzyl ester 2-methyl ester)
Formula: C12H13NO4
Molecular Weight: 235.24
Synonyms: methyl 1-benzyloxycarbonyl-2-aziridinecarboxylate;1-Benzyl 2-methyl aziridine-1,2-dicarboxylate;L-N-Benzyloxycarbonylaziridine-2-carboxylic acid methyl ester;N-benzyloxycarbonyl-L-2-naphthylalanine;N-benzyloxycarbonylaziridine-2-carboxylic acid methyl ester;L-1-Benzyloxycarbonylaziridine-2-carboxylic acid methyl ester;1-benzyloxycarbonyl-2-methoxycarbonylaziridine;N-benzoxycarbonylaziridine-2-carboxylic acid methyl ester;
Density: 1.19 g/mL at 25oC(lit.)
Boiling Point: 160-165oC2 mm Hg(lit.)
PSA: 55.61000
LogP: 1.11830
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Chemistry

Molecular structure of Aziridine-1,2-dicarboxylic acid 1-benzyl ester 2-methyl ester (CAS NO.170701-87-8) is:

Product Name: Aziridine-1,2-dicarboxylic acid 1-benzyl ester 2-methyl ester
CAS Registry Number: 170701-87-8
Systematic Name: 1-Benzyl 2-methyl aziridine-1,2-dicarboxylate 
Molecular Formula: C12H13NO4
Molecular Weight: 235.24
Refractive index: n20/D 1.519(lit.)
Index of Refraction: 1.57 
Molar Refractivity: 59.17 cm3 
Molar Volume: 180.2 cm3 
Surface Tension: 54.5 dyne/cm 
Density: 1.305 g/cm3 
Flash Point: 161.5 °C 
Enthalpy of Vaporization: 58.73 kJ/mol 
Boiling Point: 343.4 °C at 760 mmHg 
Vapour Pressure: 7.04E-05 mmHg at 25°C 
Product Categories: pharmacetical
SMILES: O=C(OC)C2N(C(=O)OCc1ccccc1)C2  
InChI: InChI=1/C12H13NO4/c1-16-11(14)10-7-13(10)12(15)17-8-9-5-3-2-4-6-9/h2-6,10H,7-8H2,1H3  
InChIKey: GTZJUBQWCWZING-UHFFFAOYAL 
Std. InChI: InChI=1S/C12H13NO4/c1-16-11(14)10-7-13(10)12(15)17-8-9-5-3-2-4-6-9/h2-6,10H,7-8H2,1H3 
Std. InChIKey: GTZJUBQWCWZING-UHFFFAOYSA-N

Safety Profile

Safty information about Aziridine-1,2-dicarboxylic acid 1-benzyl ester 2-methyl ester (CAS NO.170701-87-8) is:
WGK Germany: 3