AG003JE2

2141-62-0 | 3-Ethoxypropanenitrile

AG003JE2

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CAS Number	2141-62-0
Catalog Number	AG003JE2(AGN-PC-0JKCXB)
Chemical Name	3-Ethoxypropanenitrile
EC Number	218-393-4
IUPAC Name	3-ethoxypropanenitrile
InChI	InChI=1S/C5H9NO/c1-2-7-5-3-4-6/h2-3,5H2,1H3
InChI Key	DCWQZPJHHVLHSV-UHFFFAOYSA-N
MDL Number	MFCD00001959
Molecular Formula	C5H9NO
Molecular Weight	99.1311
NSC Number	7767
SMILES	N#CCCOCC
Synonyms	3-Ethoxypropanenitrile, 3-ETHOXYPROPIONITRILE, 2141-62-0, Propanenitrile, 3-ethoxy-, Propionitrile, 3-ethoxy-, 3-Ethoxypropiononitrile, beta-Ethoxypropionitrile, 2-Ethoxypropionitrile, 3-ethoxy-propionitrile, alpha-Ethoxypropionitrile, Propionitrile, 2-ethoxy-, .beta.-Ethoxypropionitrile, BRN 1720500, 2-Ethoxypropannitril [Czech], beta-Aethoxypropionitril [German], DCWQZPJHHVLHSV-UHFFFAOYSA-N, NSC 7767, EINECS 218-393-4, BRN 0741924, AI3-25450, 3-ethoxypropionitril, 2-Ethoxypropannitril, betaethoxypropionitrile, 3- Ethoxypropionitrile, beta-Aethoxypropionitril, ACMC-1CPDJ, 3-Ethoxypropanenitrile #, KSC203I3P, AC1Q386S, Jsp004358, DTXSID0051861, CTK1A3437, KS-00000ZQO, NSC7767, Propionitrile, 3-ethoxy- (8CI), Propanenitrile, 2-ethoxy- (9CI), AC1L2830, ACT06301, NSC-7767, ZINC1688360, ANW-24426, MFCD00001959, SBB067181, AKOS000196481, MCULE-4907543374, NE10135, RTR-010039, TRA0028694, AJ-29934, AN-50439, CJ-06412, CJ-27967, DB-013018, LS-120865, LS-124927, ST2405049, TR-010039, E0299, FT-0615638, I14-1856, InChI=1/C5H9NO/c1-2-7-5-3-4-6/h2-3,5H2,1H, C5H9NO, Propanenitrile, 2-ethoxy-, CID16501, 3-Ethoxypropionitrile, 99% - 25ML 25ml, 4-03-00-00675 (Beilstein Handbook Reference), 4-03-00-00708 (Beilstein Handbook Reference), 14631-45-9,

Complexity	71.4
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	99.068g/mol
Formal Charge	0
Heavy Atom Count	7
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	99.133g/mol
Monoisotopic Mass	99.068g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	33A^2
Undefined Atom Stereocenter Count	1
Undefined Bond Stereocenter Count	0
XLogP3	0.1

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P301+P312-P302+P352-P304+P340-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number