AG002SXA

263703-32-8 | 2-Propenoic acid, 2-cyano-, compd. with N-cyclohexylcyclohexanamine (1:1)

AG002SXA

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CAS Number	263703-32-8
Catalog Number	AG002SXA(AGN-PC-0NE7QI)
Chemical Name	2-Propenoic acid, 2-cyano-, compd. with N-cyclohexylcyclohexanamine (1:1)
IUPAC Name	2-cyanoprop-2-enoic acid;N-cyclohexylcyclohexanamine
InChI	InChI=1S/C12H23N.C4H3NO2/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;1-3(2-5)4(6)7/h11-13H,1-10H2;1H2,(H,6,7)
InChI Key	KBUNPAIJSVOOSU-UHFFFAOYSA-N
MDL Number	MFCD27920710
Molecular Formula	C16H26N2O2
Molecular Weight	278.3898
SMILES	C(#N)C(C(=O)[O-])=C.C1(CCCCC1)[NH2+]C1CCCCC1
Synonyms	Dicyclohexylamine 2-cyanoacrylate, 263703-32-8, AK142816, MFCD27920710, AS-33323, AB0072864, AX8263349, 2-Propenoic acid, 2-cyano-, compd. with N-cyclohexylcyclohexanamine (1:1),

Complexity	266
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	2
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	278.199g/mol
Formal Charge	0
Heavy Atom Count	20
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	278.396g/mol
Monoisotopic Mass	278.199g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	73.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

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