N-Boc-4-(aminomethyl)benzyl Alcohol - CAS 123986-64-1
Catalog: |
BB005773 |
Product Name: |
N-Boc-4-(aminomethyl)benzyl Alcohol |
CAS: |
123986-64-1 |
Synonyms: |
N-[[4-(hydroxymethyl)phenyl]methyl]carbamic acid tert-butyl ester; tert-butyl N-[[4-(hydroxymethyl)phenyl]methyl]carbamate |
IUPAC Name: | tert-butyl N-[[4-(hydroxymethyl)phenyl]methyl]carbamate |
Description: | N-Boc-4-(aminomethyl)benzyl Alcohol (CAS# 123986-64-1) is a useful research chemical. |
Molecular Weight: | 237.29 |
Molecular Formula: | C13H19NO3 |
Canonical SMILES: | CC(C)(C)OC(=O)NCC1=CC=C(C=C1)CO |
InChI: | InChI=1S/C13H19NO3/c1-13(2,3)17-12(16)14-8-10-4-6-11(9-15)7-5-10/h4-7,15H,8-9H2,1-3H3,(H,14,16) |
InChI Key: | KUEPOWVQABAWRK-UHFFFAOYSA-N |
Boiling Point: | 397.2 ℃ at 760 mmHg |
Density: | 1.106 g/cm3 |
Storage: | Sealed in dry, 2-8 ℃ |
LogP: | 2.59450 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P264, P270, P301+P312, P330, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
EP-3772355-A1 | Bifunctional compound and its use in immunotherapy | 20190805 |
WO-2021023512-A1 | Bifunctional compound and its use in immunotherapy | 20190805 |
WO-2020168017-A1 | Compositions containing, methods and uses of antibody-tlr agonist conjugates | 20190212 |
AU-2018321567-A1 | Ether compounds and uses thereof | 20170825 |
CA-3072543-A1 | Ether compounds and uses thereof | 20170825 |
Complexity: | 240 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 237.13649347 |
Formal Charge: | 0 |
Heavy Atom Count: | 17 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 237.13649347 |
Rotatable Bond Count: | 5 |
Topological Polar Surface Area: | 58.6 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.5 |
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