4-[2-(Boc-amino)ethyl]benzyl Alcohol - CAS 421551-76-0
Catalog: |
BB025065 |
Product Name: |
4-[2-(Boc-amino)ethyl]benzyl Alcohol |
CAS: |
421551-76-0 |
Synonyms: |
N-[2-[4-(hydroxymethyl)phenyl]ethyl]carbamic acid tert-butyl ester; tert-butyl N-[2-[4-(hydroxymethyl)phenyl]ethyl]carbamate |
IUPAC Name: | tert-butyl N-[2-[4-(hydroxymethyl)phenyl]ethyl]carbamate |
Description: | 4-[2-(Boc-amino)ethyl]benzyl Alcohol (CAS# 421551-76-0) is a useful research chemical. |
Molecular Weight: | 251.32 |
Molecular Formula: | C14H21NO3 |
Canonical SMILES: | CC(C)(C)OC(=O)NCCC1=CC=C(C=C1)CO |
InChI: | InChI=1S/C14H21NO3/c1-14(2,3)18-13(17)15-9-8-11-4-6-12(10-16)7-5-11/h4-7,16H,8-10H2,1-3H3,(H,15,17) |
InChI Key: | UDROTENLDOIPLQ-UHFFFAOYSA-N |
Boiling Point: | 411.396 °C at 760 mmHg |
Density: | 1.088 g/cm3 |
LogP: | 1.38040 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P264, P270, P301+P317, P330, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
WO-2021106988-A1 | G9a INHIBITOR | 20191127 |
WO-2016155679-A1 | Triphenylphosphonium biguanide analogues, their method of preparation and use as drugs | 20150331 |
WO-2011123678-A2 | Substituted benzo-pyrido-triazolo-diazepine compounds | 20100331 |
CA-2771226-A1 | New bradykinin b1 antagonists | 20080822 |
EP-2331518-A1 | New bradykinin b1 antagonists | 20080822 |
Complexity: | 252 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 251.15214353 |
Formal Charge: | 0 |
Heavy Atom Count: | 18 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 251.15214353 |
Rotatable Bond Count: | 6 |
Topological Polar Surface Area: | 58.6 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2 |
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