| CAS Number | 847490-49-7 |
| Catalog Number | AG01AG3N(AGN-PC-0UTEWN) |
| Chemical Name | tert-butyl N-{[(prop-2-yn-1-yl)carbamoyl]methyl}carbamate |
| IUPAC Name | tert-butyl N-[2-oxo-2-(prop-2-ynylamino)ethyl]carbamate |
| InChI | InChI=1S/C10H16N2O3/c1-5-6-11-8(13)7-12-9(14)15-10(2,3)4/h1H,6-7H2,2-4H3,(H,11,13)(H,12,14) |
| InChI Key | NPLMGRUYTUJKAQ-UHFFFAOYSA-N |
| MDL Number | MFCD24391812 |
| Molecular Formula | C10H16N2O3 |
| Molecular Weight | 212.2456 |
| SMILES | CC(OC(NCC(NCC#C)=O)=O)(C)C |
| Synonyms | 847490-49-7,
tert-butyl N-{[(prop-2-yn-1-yl)carbamoyl]methyl}carbamate,
TERT-BUTYL N-([(PROP-2-YN-1-YL)CARBAMOYL]METHYL)CARBAMATE,
SCHEMBL10258326,
MFCD24391812,
ZINC34604622,
AKOS029646039,
MCULE-8917841125,
NE17120,
CS-0047233,
N-(2-Propynyl)-2-(tert-butoxycarbonylamino)acetamide,
t-Butyl N-([(prop-2-yn-1-yl)carbamoyl]methyl)carbamate,
Z899179436,
tert-Butyl (2-oxo-2-(prop-2-yn-1-ylamino)ethyl)carbamate,
Boc-N-propargylamino-glycine,
CID11514018,
Tert-butyl N-(prop-2-ynylcarbamoylmethyl)carbamate,
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| Complexity | 283 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 212.116g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 212.249g/mol |
| Monoisotopic Mass | 212.116g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 67.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.4 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
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