| CAS Number | 22937-03-7 |
| Catalog Number | AG002LL4(AGN-PC-00NSEK) |
| Chemical Name | 4-propylazetidin-2-one |
| IUPAC Name | 4-propylazetidin-2-one |
| InChI | InChI=1S/C6H11NO/c1-2-3-5-4-6(8)7-5/h5H,2-4H2,1H3,(H,7,8) |
| InChI Key | QPJCYJIZFCJYIR-UHFFFAOYSA-N |
| MDL Number | MFCD06217523 |
| Molecular Formula | C6H11NO |
| Molecular Weight | 113.1576 |
| SMILES | CCCC1NC(=O)C1 |
| Synonyms | beta-caprolactam,
4-Propyl-2-azetidinone,
22937-03-7,
4-propylazetidin-2-one,
2-Azetidinone, 4-propyl-,
(+/-)-4-propylazetidin-2-one,
beta-Caprolactam,
AC1Q6GMO,
cis-3-propyl-beta-lactam,
2-Azetidinone,4-propyl-,
AC1L515U,
SCHEMBL1114540,
CTK4F0503,
MFCD06217523,
AKOS006293585,
FT-0704136,
AR-1D8979,
CID168076,
26073-09-6,
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| Complexity | 101 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 113.084g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 8 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 113.16g/mol |
| Monoisotopic Mass | 113.084g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 29.1A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.6 |
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Certificate of Analysis
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