N-Boc-4-methoxybenzylideneamine - CAS 479423-40-0
Catalog: |
BB026438 |
Product Name: |
N-Boc-4-methoxybenzylideneamine |
CAS: |
479423-40-0 |
Synonyms: |
tert-butyl N-[(4-methoxyphenyl)methylidene]carbamate |
IUPAC Name: | tert-butyl N-[(4-methoxyphenyl)methylidene]carbamate |
Description: | N-Boc-4-methoxybenzylideneamine (CAS# 479423-40-0 ) is a useful research chemical. |
Molecular Weight: | 235.28 |
Molecular Formula: | C13H17NO3 |
Canonical SMILES: | CC(C)(C)OC(=O)N=CC1=CC=C(C=C1)OC |
InChI: | InChI=1S/C13H17NO3/c1-13(2,3)17-12(15)14-9-10-5-7-11(16-4)8-6-10/h5-9H,1-4H3 |
InChI Key: | OLARTLQIVCKFTH-UHFFFAOYSA-N |
LogP: | 3.04920 |
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 |
US-2014309459-A1 | Method of preparing chiral ketones from aldehydes | 20111219 |
US-9120721-B2 | Method of preparing chiral ketones from aldehydes | 20111219 |
Complexity: | 273 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 235.12084340 |
Formal Charge: | 0 |
Heavy Atom Count: | 17 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 235.12084340 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 47.9 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 1 |
XLogP3: | 2.8 |
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