| CAS Number | 260967-14-4 |
| Catalog Number | AG002RMW(AGN-PC-0O8DEA) |
| Chemical Name | Carbamic acid, N-(1E)-1-propen-1-yl-, phenylmethyl ester |
| IUPAC Name | benzyl N-[(E)-prop-1-enyl]carbamate |
| InChI | InChI=1S/C11H13NO2/c1-2-8-12-11(13)14-9-10-6-4-3-5-7-10/h2-8H,9H2,1H3,(H,12,13)/b8-2+ |
| InChI Key | QVMNEPDAKLAFOH-KRXBUXKQSA-N |
| MDL Number | MFCD30183516 |
| Molecular Formula | C11H13NO2 |
| Molecular Weight | 191.2264 |
| SMILES | C/C=C/NC(=O)OCc1ccccc1 |
| Synonyms | (E)-benzyl prop-1-en-1-ylcarbamate,
260967-14-4,
QVMNEPDAKLAFOH-KRXBUXKQSA-N,
1-Propenylcarbamic acid benzyl ester,
MFCD30183516,
ZINC34638731,
Benzyl (E)-prop-1-en-1-ylcarbamate,
AKOS030528072,
[(E)-1-Propenyl]carbamic acid benzyl ester,
Carbamic acid, N-(1E)-1-propen-1-yl-, phenylmethyl ester,
benzyl N-prop-1-enylcarbamate,
Benzyl N-[(E)-prop-1-enyl]carbamate,
CID11715325,
|
| Complexity | 196 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 1 |
| Exact Mass | 191.095g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 191.23g/mol |
| Monoisotopic Mass | 191.095g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 38.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.4 |
GHS Hazard and Precautionary Statements
| Symbol: |  |
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Hazard Class
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\N
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Hazard statements
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H302-H315-H319-H335
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Packing Group
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\N
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Precautionary statements
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P280-P305+P351+P338
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UN Code
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\N
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Certificate of Analysis
Lot Number