| CAS Number | 912999-93-0 |
| Catalog Number | AG00H4TX(AGN-PC-0WRB5A) |
| Chemical Name | 5-((4-Methylpiperazin-1-yl)methyl)isoindoline |
| IUPAC Name | 5-[(4-methylpiperazin-1-yl)methyl]-2,3-dihydro-1H-isoindole |
| InChI | InChI=1S/C14H21N3/c1-16-4-6-17(7-5-16)11-12-2-3-13-9-15-10-14(13)8-12/h2-3,8,15H,4-7,9-11H2,1H3 |
| InChI Key | JRYCDLRMCRIXHZ-UHFFFAOYSA-N |
| MDL Number | MFCD23703359 |
| Molecular Formula | C14H21N3 |
| Molecular Weight | 231.3366 |
| SMILES | CN1CCN(CC1)Cc1ccc2c(c1)CNC2 |
| Synonyms | 912999-93-0,
5-((4-METHYLPIPERAZIN-1-YL)METHYL)ISOINDOLINE,
5-(4-Methyl-piperazin-1-ylmethyl)-2,3-dihydro-1H-isoindole,
SCHEMBL1206911,
JRYCDLRMCRIXHZ-UHFFFAOYSA-N,
2,3-dihydro-5-[(4-methyl-1-piperazinyl)methyl]-1H-Isoindole,
MFCD23703359,
ZINC95643079,
SB17848,
AK332254,
AS-41566,
CS-0052178,
FT-0714517,
5-[(4-Methyl-1-piperazinyl)methyl]isoindoline,
5-((4-Methylpiperazin-1-yl)methyl)-2,3-dihydro-1H-isoindole,
CID11955819,
5-[(4-methylpiperazin-1-yl)methyl]-2,3-dihydro-1H-isoindole,
|
| Complexity | 248 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 231.174g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 231.343g/mol |
| Monoisotopic Mass | 231.174g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 18.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number