AG00EUPR

617-80-1 | 2-ethylbutyronitrile

AG00EUPR

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CAS Number	617-80-1
Catalog Number	AG00EUPR(AGN-PC-0JL8WG)
Chemical Name	2-ethylbutyronitrile
EC Number	210-531-1
IUPAC Name	2-ethylbutanenitrile
InChI	InChI=1S/C6H11N/c1-3-6(4-2)5-7/h6H,3-4H2,1-2H3
InChI Key	QARLTYSAFQGMMB-UHFFFAOYSA-N
MDL Number	MFCD00128172
Molecular Formula	C6H11N
Molecular Weight	97.1582
SMILES	CCC(CC)C#N
Synonyms	2-ethylbutanenitrile, 2-Ethylbutyronitrile, 617-80-1, Butanenitrile, 2-ethyl-, EINECS 210-531-1, AC1L2BFV, AC1Q2SEI, AC1Q4QRL, CTK2F8437, KS-00000EKS, DTXSID60210704, ZINC1845959, MFCD00128172, AKOS009459466, NE11263, SY059782, AZ0001-0435, EN300-73334, MFCD00128172 (95%), InChI=1/C6H11N/c1-3-6(4-2)5-7/h6H,3-4H2,1-2H, C6-H11-N, CID69244, AR-1E1513, 6298-52-8,

Complexity	73.4
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	97.089g/mol
Formal Charge	0
Heavy Atom Count	7
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	97.161g/mol
Monoisotopic Mass	97.089g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	23.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.7

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P280-P301+P312-P302+P352-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number