| CAS Number | 105627-85-8 |
| Catalog Number | AG007VZN(AGN-PC-0K6CAG) |
| Chemical Name | 2-Phenyl-1,4-diazepane |
| IUPAC Name | 2-phenyl-1,4-diazepane |
| InChI | InChI=1S/C11H16N2/c1-2-5-10(6-3-1)11-9-12-7-4-8-13-11/h1-3,5-6,11-13H,4,7-9H2 |
| InChI Key | PQOLMVXRIQLMNF-UHFFFAOYSA-N |
| MDL Number | MFCD06245438 |
| Molecular Formula | C11H16N2 |
| Molecular Weight | 176.2581 |
| SMILES | C1CNC(C2=CC=CC=C2)CNC1 |
| Synonyms | 2-phenyl-1,4-diazepane,
105627-85-8,
2-PHENYL-[1,4]DIAZEPANE,
1H-1,4-Diazepine,hexahydro-2-phenyl-,
AC1MCKFB,
ACMC-1BQKD,
SCHEMBL9829845,
CTK4A3972,
DTXSID70378061,
AKOS006281493,
VZ25147,
TX-016509,
I14-39962,
CID2771750,
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| Complexity | 141 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 176.131g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 176.263g/mol |
| Monoisotopic Mass | 176.131g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 24.1A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number