| CAS Number | 910442-87-4 |
| Catalog Number | AG00GRWB(AGN-PC-0WD610) |
| Chemical Name | tert-Butyl 8-amino-3,4-dihydroisoquinoline-2(1H)-carboxylate |
| IUPAC Name | tert-butyl 8-amino-3,4-dihydro-1H-isoquinoline-2-carboxylate |
| InChI | InChI=1S/C14H20N2O2/c1-14(2,3)18-13(17)16-8-7-10-5-4-6-12(15)11(10)9-16/h4-6H,7-9,15H2,1-3H3 |
| InChI Key | RKPGKOBRVFHMLX-UHFFFAOYSA-N |
| MDL Number | MFCD08752226 |
| Molecular Formula | C14H20N2O2 |
| Molecular Weight | 248.3208 |
| SMILES | NC=1C=CC=C2CCN(CC12)C(=O)OC(C)(C)C |
| Synonyms | 910442-87-4,
TERT-BUTYL 8-AMINO-3,4-DIHYDROISOQUINOLINE-2(1H)-CARBOXYLATE,
tert-butyl 8-amino-1,2,3,4-tetrahydroisoquinoline-2-carboxylate,
SCHEMBL4519564,
RKPGKOBRVFHMLX-UHFFFAOYSA-N,
ZINC44137604,
SB18405,
AK150846,
AS-41949,
X-2310,
8-Amino-2-N-BOC-1,2,3,4-tetrahydroisoquinoline,
AJ-109390,
tert-butyl 8-amino-3,4-dihydro-1H-isoquinoline-2-carboxylate,
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| Complexity | 311 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 248.152478g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 248.32g/mol |
| Monoisotopic Mass | 248.152478g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 55.6Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number