2-Boc-7-amino-1,2,3,4-tetrahydroisoquinoline - CAS 171049-41-5
Catalog: |
BB012705 |
Product Name: |
2-Boc-7-amino-1,2,3,4-tetrahydroisoquinoline |
CAS: |
171049-41-5 |
Synonyms: |
7-amino-3,4-dihydro-1H-isoquinoline-2-carboxylic acid tert-butyl ester; tert-butyl 7-amino-3,4-dihydro-1H-isoquinoline-2-carboxylate |
IUPAC Name: | tert-butyl 7-amino-3,4-dihydro-1H-isoquinoline-2-carboxylate |
Description: | 2-Boc-7-amino-1,2,3,4-tetrahydroisoquinoline (CAS# 171049-41-5) is a useful research chemical. |
Molecular Weight: | 248.32 |
Molecular Formula: | C14H20N2O2 |
Canonical SMILES: | CC(C)(C)OC(=O)N1CCC2=C(C1)C=C(C=C2)N |
InChI: | InChI=1S/C14H20N2O2/c1-14(2,3)18-13(17)16-7-6-10-4-5-12(15)8-11(10)9-16/h4-5,8H,6-7,9,15H2,1-3H3 |
InChI Key: | AGRBXKCSGCUXST-UHFFFAOYSA-N |
Boiling Point: | 394.736 °C at 760 mmHg |
Density: | 1.145 g/cm3 |
MDL: | MFCD04973401 |
LogP: | 3.08110 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
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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: | 248.152477885 |
Formal Charge: | 0 |
Heavy Atom Count: | 18 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 248.152477885 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 55.6 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2 |
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