| CAS Number | 927676-52-6 |
| Catalog Number | AG00IHBA(AGN-PC-0I8INN) |
| Chemical Name | tert-Butyl 4-(4-methylpiperazin-1-yl)benzylcarbamate |
| IUPAC Name | tert-butyl N-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]carbamate |
| InChI | InChI=1S/C17H27N3O2/c1-17(2,3)22-16(21)18-13-14-5-7-15(8-6-14)20-11-9-19(4)10-12-20/h5-8H,9-13H2,1-4H3,(H,18,21) |
| InChI Key | GNPWLFHOGGEZQW-UHFFFAOYSA-N |
| MDL Number | MFCD28144942 |
| Molecular Formula | C17H27N3O2 |
| Molecular Weight | 305.4152 |
| SMILES | O=C(OC(C)(C)C)NCC2(=CC=C(N1(CCN(C)CC1))C=C2) |
| Synonyms | tert-Butyl 4-(4-methylpiperazin-1-yl)benzylcarbamate,
927676-52-6,
tert-butyl N-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]carbamate,
tert-butyl N-{[4-(4-methylpiperazin-1-yl)phenyl]methyl}carbamate,
GNPWLFHOGGEZQW-UHFFFAOYSA-N,
SCHEMBL4487502,
KS-00000SOD,
MFCD28144942,
ZINC71702239,
AKOS024464806,
DS-3241,
AK163393,
ST24049961,
|
| Complexity | 351 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 305.21g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 22 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 305.422g/mol |
| Monoisotopic Mass | 305.21g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 44.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.4 |
GHS Hazard and Precautionary Statements
| Symbol: | |
|
Hazard statements
|
|
|
Precautionary statements
|
|
Certificate of Analysis
Lot Number