| CAS Number | 1207175-15-2 |
| Catalog Number | AG01B9JM |
| Chemical Name | tert-Butyl 1-(aminomethyl)-3,4-dihydroisoquinoline-2(1H)-carboxylate |
| IUPAC Name | tert-butyl 1-(aminomethyl)-3,4-dihydro-1H-isoquinoline-2-carboxylate |
| InChI | InChI=1S/C15H22N2O2/c1-15(2,3)19-14(18)17-9-8-11-6-4-5-7-12(11)13(17)10-16/h4-7,13H,8-10,16H2,1-3H3 |
| InChI Key | VHKNZTWMVNWAOC-UHFFFAOYSA-N |
| MDL Number | MFCD11045240 |
| Molecular Formula | C15H22N2O2 |
| Molecular Weight | 262.3474 |
| SMILES | CC(OC(N1C(CN)C2=C(C=CC=C2)CC1)=O)(C)C |
| Synonyms | TERT-BUTYL 1-(AMINOMETHYL)-3,4-DIHYDROISOQUINOLINE-2(1H)-CARBOXYLATE,
1207175-15-2,
150417-20-2,
tert-butyl 1-(aminomethyl)-1,2,3,4-tetrahydroisoquinoline-2-carboxylate,
SCHEMBL4662999,
DTXSID80697013,
MFCD11045240,
AKOS030529195,
A809042,
tert-butyl 1-(aminomethyl)-3,4-dihydro-1H-isoquinoline-2-carboxylate,
1-(aminomethyl)-3,4-dihydro-1H-isoquinoline-2-carboxylic acid tert-butyl ester,
|
| Complexity | 325 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 262.168g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 262.353g/mol |
| Monoisotopic Mass | 262.168g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 55.6A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number