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

Technical Data

Safety and Hazards

Patents

Computed Properties

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

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

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Related Functional Groups

Amines and Anilines

[1106917-71-8]
[3-(Difluoromethoxy)phenyl]methanamine hydrochloride
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1,1,2,2-Tetrafluoro-N,N-dimethylethanamine
[1820736-42-2]
1-{4-[3-(Trifluoromethyl)-1H-pyrazol-1-yl]phenyl}methanamine hydrochloride
[1431966-58-3]
2,2-Difluoro-N-(2-morpholin-4-ylethyl)ethanamine dihydrochloride
[1011396-69-2]
2,2-Difluoro-N-(4-methoxy-3-(methoxymethyl)benzyl)ethanamine
[1431970-24-9]
2,2-Difluoro-N-[1-(1-methylpyrazol-4-yl)ethyl]ethanamine hydrochloride

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

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