Basic information
- CAS
370880-75-4- Standard SMILES
C=CCN(CC=O)C(=O)OCc1ccccc1- InChIKey
XUEMBLJTQGDMMM-UHFFFAOYSA-N- Molecular formula
- C13H15NO3
- Average molar mass
- 233.26 g/mol
- Monoisotopic mass
- 233.10519334
Names & identifiers
- Preferred name
- Benzyl allyl(2-oxoethyl)carbamate
- IUPAC
- benzyl N-(2-oxoethyl)-N-prop-2-enylcarbamate
- English name
- benzyl allyl(2-oxoethyl)carbaMate
- Molecular formula
- C13H15NO3
- Molecular weight
- 233.26
Names & synonyms
370880-75-4Benzyl allyl(2-oxoethyl)carbamate2-(N-Cbz-N-allylamino)-acetaldehyde2-[Allyl(Cbz)amino]acetaldehydeMFCD13184756benzyl N-(2-oxoethyl)-N-prop-2-enylcarbamateBenzyl N-allyl-N-(2-oxoethyl)carbamateSCHEMBL651119SCHEMBL7491138DTXSID40725442XUEMBLJTQGDMMM-UHFFFAOYSA-NBENZYL N-(2-OXOETHYL)-N-(PROP-2-EN-1-YL)CARBAMATE
Show more names
benzyl allylformylmethylcarbamate
CS-B0379Carbamic acid, N-(2-oxoethyl)-N-2-propen-1-yl-, phenylmethyl esterAKOS016007132AS-35445SY039241DB-364239Benzyl (2-oxoethyl)prop-2-en-1-ylcarbamateallyl-(2-oxo-ethyl)-carbamic acid benzyl ester
Database identifiers
- CAS
370880-75-4- PubChem CID
- 57415664
- DTXSID
DTXSID40725442- Nikkaji
- J3.273.113I
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 46.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 7
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 259
Physicochemical properties
- Boiling point
- 344.3 · 344.3±41.0 °C(Predicted)
- Density
- 1.121 · 1.121±0.06 g/cm3(Predicted)
- pka
- -1.77 · -1.77±0.70(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302
- Precautionary statements
- 280 · P280-P305+P351+P338
Safety & regulation
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Upstream & downstream products
Downstream products
Suppliers31 total
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
西安华瑞致远生物科技有限公司18014474522 · [email protected]
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上海超悦化学科技有限公司（原上海斯比德化学）21-65679720 · [email protected]
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Nextpeptide Inc+86-0571-81612335 +8613336028439 · [email protected]
佰美济华（河南）医药科技有限公司0371-88900765 18037465274 · [email protected]
河北药成医药科技有限责任公司19903117580 19903117510 · [email protected]
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武汉万鉴生物科技有限公司13277087647 · [email protected]
Related reactions
18 records
Compound notes
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