N-Benzylaminoacetaldehyde Diethyl Acetal - CAS 61190-10-1
Catalog: |
BB030988 |
Product Name: |
N-Benzylaminoacetaldehyde Diethyl Acetal |
CAS: |
61190-10-1 |
Synonyms: |
2,2-diethoxy-N-(phenylmethyl)ethanamine; N-benzyl-2,2-diethoxyethanamine |
IUPAC Name: | N-benzyl-2,2-diethoxyethanamine |
Description: | N-Benzylaminoacetaldehyde Diethyl Acetal (CAS# 61190-10-1) is a reactant used in the design of new potent and selective secretory phospholipase A2 inhibitors. |
Molecular Weight: | 223.31 |
Molecular Formula: | C13H21NO2 |
Canonical SMILES: | CCOC(CNCC1=CC=CC=C1)OCC |
InChI: | InChI=1S/C13H21NO2/c1-3-15-13(16-4-2)11-14-10-12-8-6-5-7-9-12/h5-9,13-14H,3-4,10-11H2,1-2H3 |
InChI Key: | SXFVQTYQHWRYOS-UHFFFAOYSA-N |
Boiling Point: | 115-117 °C (1 torr) |
MDL: | MFCD00051599 |
LogP: | 2.56620 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
KR-20190040763-A | Pyrazolopyridine derivative compound and use thereof | 20171011 |
US-10011600-B2 | Methods and compositions for inhibition of Ras | 20140925 |
US-2017247376-A1 | Methods and compositions for inhibition of ras | 20140925 |
US-2016166571-A1 | Combination therapies for treatment of cancer | 20140918 |
US-2019262342-A1 | Combination therapies for treatment of cancer | 20140918 |
Complexity: | 152 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 223.157228913 |
Formal Charge: | 0 |
Heavy Atom Count: | 16 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 223.157228913 |
Rotatable Bond Count: | 8 |
Topological Polar Surface Area: | 30.5 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.9 |
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Amines and Anilines
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