2-(Boc-amino)-2-phenylethylamine Hydrochloride - CAS 1253955-71-3
Catalog: |
BB006111 |
Product Name: |
2-(Boc-amino)-2-phenylethylamine Hydrochloride |
CAS: |
1253955-71-3 |
Synonyms: |
N-(2-amino-1-phenylethyl)carbamic acid tert-butyl ester;hydrochloride; tert-butyl N-(2-amino-1-phenylethyl)carbamate;hydrochloride |
IUPAC Name: | tert-butyl N-(2-amino-1-phenylethyl)carbamate;hydrochloride |
Description: | 2-(Boc-amino)-2-phenylethylamine Hydrochloride (CAS# 1253955-71-3) is a useful research chemical. |
Molecular Weight: | 272.77 |
Molecular Formula: | C13H21ClN2O2 |
Canonical SMILES: | CC(C)(C)OC(=O)NC(CN)C1=CC=CC=C1.Cl |
InChI: | InChI=1S/C13H20N2O2.ClH/c1-13(2,3)17-12(16)15-11(9-14)10-7-5-4-6-8-10;/h4-8,11H,9,14H2,1-3H3,(H,15,16);1H |
InChI Key: | LNGDOFMYIHYSAU-UHFFFAOYSA-N |
LogP: | 4.10430 |
Complexity: | 242 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 2 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 272.1291556 |
Formal Charge: | 0 |
Heavy Atom Count: | 18 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 3 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 272.1291556 |
Rotatable Bond Count: | 5 |
Topological Polar Surface Area: | 64.4 |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
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