(S)-N2-Boc-1-phenylethylenediamine - CAS 943322-87-0
Catalog: |
BB041276 |
Product Name: |
(S)-N2-Boc-1-phenylethylenediamine |
CAS: |
943322-87-0 |
Synonyms: |
N-[(2S)-2-amino-2-phenylethyl]carbamic acid tert-butyl ester; tert-butyl N-[(2S)-2-amino-2-phenylethyl]carbamate |
IUPAC Name: | tert-butyl N-[(2S)-2-amino-2-phenylethyl]carbamate |
Description: | (S)-N2-Boc-1-phenylethylenediamine (CAS# 943322-87-0) 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)/t11-/m1/s1 |
InChI Key: | CLUUDOMFHPDBIR-LLVKDONJSA-N |
LogP: | 3.11580 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
AU-2016341520-A1 | Benzolactam compounds as protein kinase inhibitors | 20151021 |
CA-3001799-A1 | Benzolactam compounds as protein kinase inhibitors | 20151021 |
EP-3365334-A1 | Benzolactam compounds as protein kinase inhibitors | 20151021 |
KR-20180063895-A | Benzolactam compounds as protein kinase inhibitors | 20151021 |
US-10457669-B2 | Benzolactam compounds as protein kinase inhibitors | 20151021 |
Complexity: | 242 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 1 |
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 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.5 |
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Amines and Anilines
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