| CAS Number | 21384-53-2 |
| Catalog Number | AG00I44F(AGN-PC-0WBPNV) |
| Chemical Name | Methyl 1-benzylaziridine-2-carboxylate |
| IUPAC Name | methyl 1-benzylaziridine-2-carboxylate |
| InChI | InChI=1S/C11H13NO2/c1-14-11(13)10-8-12(10)7-9-5-3-2-4-6-9/h2-6,10H,7-8H2,1H3 |
| InChI Key | QBIVBBBSVOOSSO-UHFFFAOYSA-N |
| MDL Number | MFCD06136675 |
| Molecular Formula | C11H13NO2 |
| Molecular Weight | 191.2264 |
| SMILES | COC(=O)C1CN1Cc1ccccc1 |
| Synonyms | methyl 1-benzylaziridine-2-carboxylate,
21384-53-2,
Methyl 1-benzyl-2-aziridinecarboxylate,
1-Benzyl-2-carbomethoxyaziridine,
QBIVBBBSVOOSSO-UHFFFAOYSA-N,
1-Benzylaziridine-2-carboxylic acid methyl ester,
2-Aziridinecarboxylic acid, 1-(phenylmethyl)-, methyl ester,
AC1LBNMO,
SCHEMBL2276952,
CTK6J0963,
ALBB-027308,
ZX-AN051561,
MFCD06136675,
AKOS015907149,
Methyl 1-benzyl-2-aziridinecarboxylate #,
1-benzyl-aziridin-2-carbonsaeure-methylester,
R9052,
I14-20783,
CID561085,
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| Complexity | 211 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 191.095g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 191.23g/mol |
| Monoisotopic Mass | 191.095g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 29.3A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.5 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
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