AG00DECV

4435-14-7 | 1-Cyclohexaneacetonitrile

AG00DECV

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CAS Number	4435-14-7
Catalog Number	AG00DECV(AGN-PC-0NDF14)
Chemical Name	1-Cyclohexaneacetonitrile
IUPAC Name	2-cyclohexylacetonitrile
InChI	InChI=1S/C8H13N/c9-7-6-8-4-2-1-3-5-8/h8H,1-6H2
InChI Key	MXFPACNADGXIQY-UHFFFAOYSA-N
MDL Number	MFCD00058667
Molecular Formula	C8H13N
Molecular Weight	123.1955
SMILES	N#CCC1CCCCC1
Synonyms	2-cyclohexylacetonitrile, 4435-14-7, 1-CYCLOHEXANEACETONITRILE, Cyclohexaneacetonitrile, 1-cyclohexyl acetonitrile, cyclohexylacetonitrile, F9995-2605, 1-Cyclohexylacetonitrile, Cyclohexyl acetonitrile, cyclohexane acetonitrile, 2-cyclohexylethanenitrile, 2-cyclohexyl-acetonitrile, AC1Q4S3V, SCHEMBL91247, CYCLOHEXYL-ACETONITRILE, DTXSID10449481, MXFPACNADGXIQY-UHFFFAOYSA-N, KS-00000K4F, ZINC2522705, 5033AH, MFCD00058667, SC5095, AKOS000175432, AB02345, CC-1880, CS-W018366, DS-7961, MCULE-1749955817, AJ-37219, AK144830, BC219607, SC-40063, SC-72238, AB0088363, TC-061401, FT-0754402, EN300-51049, A-7840, A826553, Z803153688, C8H13N, CID10953488, 140-29-4,

Complexity	114
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	123.105g/mol
Formal Charge	0
Heavy Atom Count	9
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	123.199g/mol
Monoisotopic Mass	123.105g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	23.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.7

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H312-H332
Packing Group
Precautionary statements	P280
UN Code

Certificate of Analysis

Lot Number