| CAS Number | 1450754-41-2 |
| Catalog Number | AG001KJB |
| Chemical Name | 3H-Diazirine-3-ethanol, 3-(3-butyn-1-yl)- |
| IUPAC Name | 2-(3-but-3-ynyldiazirin-3-yl)ethanol |
| InChI | InChI=1S/C7H10N2O/c1-2-3-4-7(5-6-10)8-9-7/h1,10H,3-6H2 |
| InChI Key | NMIZSJAOOMXKDJ-UHFFFAOYSA-N |
| MDL Number | MFCD29918290 |
| Molecular Formula | C7H10N2O |
| Molecular Weight | 138.1671 |
| SMILES | C(CC#C)C1(N=N1)CCO |
| Synonyms | 2-(3-but-3-ynyl-3H-diazirin-3-yl)-ethanol,
1450754-41-2,
SCHEMBL20680946,
KS-00000TP9,
MFCD29918290,
AKOS026720521,
ZINC238642391,
AK544196,
DS-19296,
2-(3-But-3-ynyl-3H-diazirin-3-yl)ethanol,
3H-Diazirine-3-ethanol, 3-(3-butyn-1-yl)-,
2-(3-(but-3-yn-1-yl)-3H-diazirin-3-yl)ethan-1-ol,
2-(3-But-3-ynyl-3H-diazirin-3-yl)-ethanol, >=95%,
F2197-0240,
2-(3-(but-3-ynyl)-3H-diazirin-3-yl)ethanol,
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| Complexity | 183 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 138.079g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 138.17g/mol |
| Monoisotopic Mass | 138.079g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 45A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.8 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
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