| CAS Number | 76141-88-3 |
| Catalog Number | AG00G7GR(AGN-PC-0WB2H6) |
| Chemical Name | 1-(2-Chlorobenzyl)-1,4-diazepane |
| IUPAC Name | 1-[(2-chlorophenyl)methyl]-1,4-diazepane |
| InChI | InChI=1S/C12H17ClN2/c13-12-5-2-1-4-11(12)10-15-8-3-6-14-7-9-15/h1-2,4-5,14H,3,6-10H2 |
| InChI Key | FTMQQFQWZMWCMG-UHFFFAOYSA-N |
| MDL Number | MFCD01312090 |
| Molecular Formula | C12H17ClN2 |
| Molecular Weight | 224.7298 |
| SMILES | ClC1=C(CN2CCNCCC2)C=CC=C1 |
| Synonyms | 1-(2-Chlorobenzyl)-1,4-diazepane,
76141-88-3,
1-[(2-chlorophenyl)methyl]-1,4-diazepane,
AC1MCNW1,
SCHEMBL2266141,
CTK6H3287,
FTMQQFQWZMWCMG-UHFFFAOYSA-N,
KS-00001NS9,
MFCD01312090,
SBB078402,
ZINC19280754,
AKOS000156276,
PS-4126,
1-(2-Chlorobenzyl)hoMopiperazine, 95%,
AJ-72796,
1-[(2-chlorophenyl)methyl]-1,4-diazaperhydroepine,
CID2774069,
|
| Complexity | 187 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 224.108g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 224.732g/mol |
| Monoisotopic Mass | 224.108g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 15.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.1 |
GHS Hazard and Precautionary Statements
| Symbol: | |
|
Hazard statements
|
|
|
Precautionary statements
|
|
Certificate of Analysis
Lot Number