N1-Boc-2-phenyl-1,2-ethanediamine - CAS 174885-99-5
Catalog: |
BB013051 |
Product Name: |
N1-Boc-2-phenyl-1,2-ethanediamine |
CAS: |
174885-99-5 |
Synonyms: |
N-(2-amino-2-phenylethyl)carbamic acid tert-butyl ester; tert-butyl N-(2-amino-2-phenylethyl)carbamate |
IUPAC Name: | tert-butyl N-(2-amino-2-phenylethyl)carbamate |
Description: | N1-Boc-2-phenyl-1,2-ethanediamine (CAS# 174885-99-5) is a useful research chemical. |
Molecular Weight: | 236.31 |
Molecular Formula: | C13H20N2O2 |
Canonical SMILES: | CC(C)(C)OC(=O)NCC(C1=CC=CC=C1)N |
InChI: | InChI=1S/C13H20N2O2/c1-13(2,3)17-12(16)15-9-11(14)10-7-5-4-6-8-10/h4-8,11H,9,14H2,1-3H3,(H,15,16) |
InChI Key: | CLUUDOMFHPDBIR-UHFFFAOYSA-N |
Boiling Point: | 375.2 °C at 760 mmHg |
LogP: | 3.30230 |
Publication Number | Title | Priority Date |
EP-3845276-A1 | Ss-amino acid derivative, kinase inhibitor and pharmaceutical composition containing the same, and use of the same | 20191231 |
KR-20210086995-A | β-AMINO ACID DERIVATIVE, KINASE INHIBITOR AND PHARMACEUTICAL COMPOSITION CONTAINING THE SAME | 20191231 |
WO-2019154329-A1 | Compound having bet inhibitory activity and preparation method and use therefor | 20180206 |
EP-3750885-A1 | Compound having bet inhibitory activity and preparation method and use therefor | 20180206 |
US-2021261539-A1 | Compound having bet inhibitory activity and preparation method and use therefor | 20180206 |
Complexity: | 242 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 236.152477885 |
Formal Charge: | 0 |
Heavy Atom Count: | 17 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 236.152477885 |
Rotatable Bond Count: | 5 |
Topological Polar Surface Area: | 64.4 |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.5 |
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