3,3-Diethoxypropionitrile - CAS 2032-34-0

Catalog:	BB015798
Product Name:	3,3-Diethoxypropionitrile
CAS:	2032-34-0
Synonyms:	3,3-diethoxypropanenitrile

Technical Data

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Computed Properties

IUPAC Name:	3,3-diethoxypropanenitrile
Description:	3,3-Diethoxypropionitrile (CAS# 2032-34-0) is a propionitrile derivative used in the preparation of various biologically active compounds such as p38α mitogen-activated protein kinase inhibitors.
Molecular Weight:	143.18
Molecular Formula:	C7H13NO2
Canonical SMILES:	CCOC(CC#N)OCC
InChI:	InChI=1S/C7H13NO2/c1-3-9-7(5-6-8)10-4-2/h7H,3-5H2,1-2H3
InChI Key:	WBOXEOCWOCJQNK-UHFFFAOYSA-N
Boiling Point:	91-93 ℃ (11 mmHg)
Density:	0.954 g/cm³
Appearance:	Clear yellow to brownish liquid
MDL:	MFCD00040558
LogP:	1.29918

Publication Number	Title	Priority Date
CN-112321599-A	Synthesis method of drug intermediate 7-oxo-2-azaspiro [3.5] nonane	20201125
CN-111646947-A	Preparation process for replacing sodium methoxide by metal sodium in cytosine cyclization process	20200714
WO-2021110169-A1	Thiazololactam compound as erk inhibitor and use thereof	20191206
WO-2021059160-A1	Process for preparing 5-(fluoro-4-imino-3-methyl)-1-tosyl-3,4 dihydropyrimidine -(1h)-one	20190923
CN-109912454-A	The synthetic method of 3- ethoxy propylene nitrile and 3,3- diethoxy propionitrile mixture	20190326

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Related Functional Groups

Nitrogen Compounds

[89908-23-6]
2-Propenoic acid, 2-(3',3'-dimethyl-6-nitrospiro[2H-1-benzopyran-2,2'-[2H]indol]-1'(3'H)-yl)ethyl ester
[937273-31-9]
2-[(Allyloxy)methyl]-1-(2-chloroethoxy)-4-nitrobenzene
[1281984-38-0]
1-Cyclopentyl-3,5-dinitro-1H-pyrazole
[78056-67-4]
2-(1-Benzyl-4-piperidyl)acetonitrile
[865774-78-3]
2-(6,8-difluoro-1,2,3,4-tetrahydro-naphthalen-2-ylamino)-pentanoic acid methyl ester
[13021-14-2]
2,4,6-Trimethyl-N-methylaniline

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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:	110
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	143.094628657
Formal Charge:	0
Heavy Atom Count:	10
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	143.094628657
Rotatable Bond Count:	5
Topological Polar Surface Area:	42.2 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.5