| CAS Number | 112925-36-7 |
| Catalog Number | AG008V53(AGN-PC-05OZL8) |
| Chemical Name | 1-(4-benzyl-1,4-oxazepan-2-yl)methanamine |
| IUPAC Name | (4-benzyl-1,4-oxazepan-2-yl)methanamine |
| InChI | InChI=1S/C13H20N2O/c14-9-13-11-15(7-4-8-16-13)10-12-5-2-1-3-6-12/h1-3,5-6,13H,4,7-11,14H2 |
| InChI Key | XUZFLQOWHVNBQZ-UHFFFAOYSA-N |
| MDL Number | MFCD11108419 |
| Molecular Formula | C13H20N2O |
| Molecular Weight | 220.3107 |
| SMILES | C(C1=CC=CC=C1)N1CC(OCCC1)CN |
| Synonyms | 112925-36-7,
(4-benzyl-1,4-oxazepan-2-yl)methanamine,
[(4-benzyl-1,4-oxazepan-2-yl)methyl]amine,
1-(4-benzyl-1,4-oxazepan-2-yl)methanamine,
SCHEMBL7368320,
XUZFLQOWHVNBQZ-UHFFFAOYSA-N,
ALBB-026618,
MFCD11108419,
AKOS017259251,
MCULE-2826842393,
AB0218790,
Y-6644,
2-aminomethyl-4-benzyl-hexahydro-1,4-oxazepine,
1-(4-benzyl-1,4-oxazepan-2-yl)methanamine(SALTDATA,
Z1860991737,
CID10421023,
|
| Complexity | 192 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 220.158g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 220.316g/mol |
| Monoisotopic Mass | 220.158g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 38.5A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number