| CAS Number | 110766-00-2 |
| Catalog Number | AG0090AH(AGN-PC-0WO3BP) |
| Chemical Name | 1-[(4-Methylphenyl)methyl]-1,4-diazepane |
| IUPAC Name | 1-[(4-methylphenyl)methyl]-1,4-diazepane |
| InChI | InChI=1S/C13H20N2/c1-12-3-5-13(6-4-12)11-15-9-2-7-14-8-10-15/h3-6,14H,2,7-11H2,1H3 |
| InChI Key | IXRSALZMDNNZTN-UHFFFAOYSA-N |
| MDL Number | MFCD07383227 |
| Molecular Formula | C13H20N2 |
| Molecular Weight | 204.3113 |
| SMILES | CC1=CC=C(CN2CCNCCC2)C=C1 |
| Synonyms | 1-[(4-methylphenyl)methyl]-1,4-diazepane,
110766-00-2,
1-(4-methylbenzyl)-1,4-diazepane,
AC1PNDC4,
AC1Q2LZS,
SCHEMBL9621226,
CTK6B8310,
KS-00001NQH,
MFCD07383227,
ZINC20080885,
AKOS000264470,
MCULE-1686664968,
1-(4-Methylbenzyl)hoMopiperazine, 95%,
EN300-24151,
Z190662898,
CID9207790,
|
| Complexity | 173 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 204.163g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 204.317g/mol |
| Monoisotopic Mass | 204.163g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 15.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number