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AG003JER

Name: 3-Ethynylaniline
Brand: Angene Chemical
SKU: AG003JER

54060-30-9 | 3-Ethynylaniline

Chemical structure of 3-Ethynylaniline, CAS 54060-30-9

AG003JER

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CAS Number	54060-30-9
Catalog Number	AG003JER(AGN-PC-0JLEHR)
Chemical Name	3-Ethynylaniline
EC Number	258-944-6
IUPAC Name	3-ethynylaniline
InChI	InChI=1S/C8H7N/c1-2-7-4-3-5-8(9)6-7/h1,3-6H,9H2
InChI Key	NNKQLUVBPJEUOR-UHFFFAOYSA-N
MDL Number	MFCD00014779
Molecular Formula	C8H7N
Molecular Weight	117.1479
SMILES	C1=C(C=CC=C1C#C)N
Synonyms	3-Ethynylaniline, 3-Aminophenylacetylene, 54060-30-9, Benzenamine, 3-ethynyl-, 3-ethynylbenzenamine, m-Aminophenylacetylene, MFCD00014779, 3-ethynylphenylamine, 3 - Ethynylaniline, NNKQLUVBPJEUOR-UHFFFAOYSA-N, 3-ETHYNYLANILINE (3-AMINOPHENYL ACETYLENE), 3-Aminophenylacetylene, 98%, (m-Aminophenyl)acetylene, 3-ethynyl-aniline, 3-Ethynyl aniline, EINECS 258-944-6, 3Aminophenylacetylene, 3-ethynyl-benzenamin, 3-Ethynylaniline #, 3-Ethynyl-benzenamine, 3-ethynyl-phenylamine, PubChem4052, m-aminophenyl acetylene, 3-amino-phenylacetylene, 3-aminophenyl acetylene, (3-Ethynylphenyl)amine, 3-Amino phenylacetylene, ACMC-209lcp, 3-amino-phenyl acetylene, AC1L2XAO, (3-Aminophenyl)acetylene, 1-Amino-3-ethynylbenzene, 3-Ethynylaniline, >=98%, KSC269K0P, SCHEMBL107461, AC1Q284L, AC1Q51E4, CTK1G9507, ACN-S003617, ACT00085, BCP26724, EBD36514, STR05978, ZINC2560531, AC-068, ANW-31943, FC0780, RW2067, SBB064269, Erlotinib Impurity (3-Ethynylailine), AKOS009116045, ACN-026885, AN-3718, CS-W007423, LS10320, MCULE-3901672636, QC-4345, RP19281, RTR-019115, TRA0074823, KS-000009Q7, AJ-40597, AK-27092, BC677915, BP-21433, BR-27092, CJ-09564, FS000012, R926, SC-05194, AB1003723, ST2417692, TR-019115, AM20050517, FT-0083541, FT-0615662, EN300-26967, S-8116, A830615, I01-4516, Q-101339, S01-0846, F5608-0061, Z1198394160, 3-Ethynyl-phenylamine; 3-ethynylphenylamine; benzenamine, 3-ethynyl-, m-ethynylaniline, Bencenamina, 3-etinil-, C8H7N, Benzenamine, 3-ethynyl- (9CI), C8-H7-N, 3-Aminophenylacetylene, 98% 5g, 3-Ethynylaniline, 99% - 5G 5g, AR-1F3214, CID104682, ZINC02560531, A1122, A7863, 5538-41-0,

Complexity	131
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	117.058g/mol
Formal Charge	0
Heavy Atom Count	9
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	117.151g/mol
Monoisotopic Mass	117.058g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	26A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.3

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	3
Hazard statements	H226-H315-H319-H335
Packing Group	Ⅲ
Precautionary statements	P261-P305+P351+P338
UN Code	UN 1993

Related Research Chemicals

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Conclusion: The above product meets the specifications of Angene.

Analyst:Chase

Date:

Reviewed by:Jessie

Date:

Angene International Limited