tert-Butyl 3-(hydroxymethyl)phenethylcarbamate - CAS 1175090-35-3
Catalog: |
BB054244 |
Product Name: |
tert-Butyl 3-(hydroxymethyl)phenethylcarbamate |
CAS: |
1175090-35-3 |
Synonyms: |
N-Boc-(3-(2-aminoethyl)phenyl)methanol; Carbamic acid, N-[2-[3-(hydroxymethyl)phenyl]ethyl]-, 1,1-dimethylethyl ester; N-[2-[3-(Hydroxymethyl)phenyl]ethyl]-carbamic acid tert-butyl ester; N-[2-[3-(Hydroxymethyl)phenyl]ethyl]-carbamic acid t-butyl ester |
IUPAC Name: | tert-butyl N-[2-[3-(hydroxymethyl)phenyl]ethyl]carbamate |
Molecular Weight: | 251.32 |
Molecular Formula: | C14H21NO3 |
Canonical SMILES: | CC(C)(C)OC(=O)NCCC1=CC(=CC=C1)CO |
InChI: | InChI=1S/C14H21NO3/c1-14(2,3)18-13(17)15-8-7-11-5-4-6-12(9-11)10-16/h4-6,9,16H,7-8,10H2,1-3H3,(H,15,17) |
InChI Key: | RYUBEYGFIWIUMP-UHFFFAOYSA-N |
Boiling Point: | 410.0±33.0°C (Predicted) |
Purity: | ≥95% |
Density: | 1.088±0.06 g/cm3 (Predicted) |
Complexity: | 260 |
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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