| CAS Number | 229162-11-2 |
| Catalog Number | AG002LGX(AGN-PC-03VBOK) |
| Chemical Name | 1-Allyl-[1,4]diazepane |
| IUPAC Name | 1-prop-2-enyl-1,4-diazepane |
| InChI | InChI=1S/C8H16N2/c1-2-6-10-7-3-4-9-5-8-10/h2,9H,1,3-8H2 |
| InChI Key | CXDJAFGJFWDOHN-UHFFFAOYSA-N |
| MDL Number | MFCD09951282 |
| Molecular Formula | C8H16N2 |
| Molecular Weight | 140.2260 |
| SMILES | C=CCN1CCNCCC1 |
| Synonyms | 1-Allyl-[1,4]diazepane,
229162-11-2,
1-(Prop-2-enyl)-1,4-diazepane,
SCHEMBL64922,
1-prop-2-enyl-1,4-diazepane,
CXDJAFGJFWDOHN-UHFFFAOYSA-N,
MFCD09951282,
ZINC19801809,
AKOS000195244,
1H-1,4-Diazepine, hexahydro-1-(2-propen-1-yl)-,
1-Allyl-[1,4]diazepane, 98% - 1G 1g,
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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 | 140.131g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 140.23g/mol |
| Monoisotopic Mass | 140.131g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 15.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.2 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number