AG0028Q4

2032-34-0 | Propanenitrile, 3,3-diethoxy-

AG0028Q4

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CAS Number	2032-34-0
Catalog Number	AG0028Q4(AGN-PC-0JLBW0)
Chemical Name	Propanenitrile, 3,3-diethoxy-
EC Number	217-988-6
IUPAC Name	3,3-diethoxypropanenitrile
InChI	InChI=1S/C7H13NO2/c1-3-9-7(5-6-8)10-4-2/h7H,3-5H2,1-2H3
InChI Key	WBOXEOCWOCJQNK-UHFFFAOYSA-N
MDL Number	MFCD00040558
Molecular Formula	C7H13NO2
Molecular Weight	143.1836
SMILES	N#CCC(OCC)OCC
Synonyms	3,3-Diethoxypropanenitrile, 2032-34-0, 3,3-Diethoxypropionitrile, 3,3-Diethoxypropiononitrile, Propanenitrile, 3,3-diethoxy-, 1,1-Diethoxy-2-cyanoethane, Cyanoacetaldehyde Diethyl Acetal, 3,3-Diethoxy propionitrile, WBOXEOCWOCJQNK-UHFFFAOYSA-N, cyadea, EINECS 217-988-6, ACMC-1CMZA, AC1L2MSG, 3,3-diethoxypropiononitril, 3,3-diethoxy-propionitrile, cyanacetaldehyde diethylacetal, Cyan-acetaldehyd-diathylacetal, KSC493A7F, Cyanoacetaldehyde diethylacetal, SCHEMBL271779, cyan-acetaldehyde diethyl-acetal, Jsp004151, 3,3-bis(ethyloxy)propanenitrile, 2-Cyanoacetaldehyde diethylacetal, CTK3J3072, DTXSID70174207, 3,3-Diethoxypropionitrile, 95%, Malonaldehydenitrile diethyl acetal, ZINC389850, Acetaldehyde, cyano-, diethyl acetal, ANW-24020, MFCD00040558, AKOS015916444, Cyanoacetaldehyde diethylacetal; >95%, CS-W016415, NE10958, TRA0005613, AJ-20976, AN-50292, AS-41765, CJ-03442, SC-52726, ZB011904, AB0030992, DB-066134, RT-001233, 4CH-023618, C1178, FT-0606109, ST24041109, X3305, A814436, J-013214, I14-49465, InChI=1/C7H13NO2/c1-3-9-7(5-6-8)10-4-2/h7H,3-5H2,1-2H, C7H13NO2, C7-H13-N-O2, CID74851, ZINC00389850, R2111, 3-((TERT-BUTOXYCARBONYL)AMINO)OXETANE-3-CARBOXYLIC ACID, 1159736-25-0,

Complexity	110
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	143.095g/mol
Formal Charge	0
Heavy Atom Count	10
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	143.186g/mol
Monoisotopic Mass	143.095g/mol
Rotatable Bond Count	5
Topological Polar Surface Area	42.2A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.5

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302+H312+H332-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338-P264-P270-P271-P280-P301+P312+P330-P302+P352+P312+P362+P364-P304+P340+P312-P305+P351+P338+P337+P313-P501
UN Code	\N

Certificate of Analysis

Lot Number