AG002IW9

207226-02-6 | Benzenamine, 3-ethynyl-, hydrochloride (1:1)

AG002IW9

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CAS Number	207226-02-6
Catalog Number	AG002IW9(AGN-PC-022OVI)
Chemical Name	Benzenamine, 3-ethynyl-, hydrochloride (1:1)
IUPAC Name	3-ethynylaniline;hydrochloride
InChI	InChI=1S/C8H7N.ClH/c1-2-7-4-3-5-8(9)6-7;/h1,3-6H,9H2;1H
InChI Key	CUNYDQJCQAWKLK-UHFFFAOYSA-N
MDL Number	MFCD12913913
Molecular Formula	C8H8ClN
Molecular Weight	153.6088
SMILES	NC1=CC=CC(C#C)=C1.[H]Cl
Synonyms	3-Ethynylaniline hydrochloride, 207226-02-6, 3-Ethynylbenzenamine Hydrochloride, 3-Ethynylaniline HCl, Benzenamine, 3-ethynyl-, hydrochloride, AK119642, 3-aminophenylacetylene HCl, C8H7N.HCl, 3-ethynylaniline,hydrochloride, KSC005Q2R, SCHEMBL1507576, CTK9A5828, DTXSID70596526, CUNYDQJCQAWKLK-UHFFFAOYSA-N, BCP09426, KS-00000R1O, MFCD12913913, AKOS015890563, CS-W006161, DS-5694, AC-29720, SC-88382, SY046492, 3-AMINOPHENYLACETYLENE HYDROCHLORIDE, 3-Ethynylaniline--hydrogen chloride (1/1), AB0034101, AX8245058, ST2417693, 4CH-012331, X8201, MFCD12913913 (95%), Benzenamine, 3-ethynyl-, hydrochloride (1:1), I01-7554, J-013610, 3-Ethynylanilinehydrochloride, ACN-048371,

Complexity	131
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	2
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	153.035g/mol
Formal Charge	0
Heavy Atom Count	10
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	153.609g/mol
Monoisotopic Mass	153.035g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	26A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H332-H335
Packing Group
Precautionary statements	P261-P280-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number