2-Boc-5-(bromomethyl)-1,2,3,4-tetrahydroisoquinoline - CAS 2031269-14-2
Catalog: |
BB015793 |
Product Name: |
2-Boc-5-(bromomethyl)-1,2,3,4-tetrahydroisoquinoline |
CAS: |
2031269-14-2 |
Synonyms: |
5-(bromomethyl)-3,4-dihydro-1H-isoquinoline-2-carboxylic acid tert-butyl ester; tert-butyl 5-(bromomethyl)-3,4-dihydro-1H-isoquinoline-2-carboxylate |
IUPAC Name: | tert-butyl 5-(bromomethyl)-3,4-dihydro-1H-isoquinoline-2-carboxylate |
Description: | 2-Boc-5-(bromomethyl)-1,2,3,4-tetrahydroisoquinoline (CAS# 2031269-14-2 ) is a useful research chemical. |
Molecular Weight: | 326.23 |
Molecular Formula: | C15H20BrNO2 |
Canonical SMILES: | CC(C)(C)OC(=O)N1CCC2=C(C1)C=CC=C2CBr |
InChI: | InChI=1S/C15H20BrNO2/c1-15(2,3)19-14(18)17-8-7-13-11(9-16)5-4-6-12(13)10-17/h4-6H,7-10H2,1-3H3 |
InChI Key: | VNEQMMUNYGMQAU-UHFFFAOYSA-N |
LogP: | 3.81260 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]; H318 (100%): Causes serious eye damage [Danger Serious eye damage/eye irritation]; H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation] |
Precautionary Statement: | P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P332+P317, P362+P364, P403+P233, P405, and P501 |
Signal Word: | Danger |
Publication Number | Title | Priority Date |
WO-2020207991-A1 | Hexahydro-1h-pyrazino[1,2-a]pyrazine compounds for the treatment of autoimmune disease | 20190409 |
Complexity: | 327 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 325.06774 |
Formal Charge: | 0 |
Heavy Atom Count: | 19 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 325.06774 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 29.5 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.2 |
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