AG00ECIY

603951-43-5 | 1-(2',4'-DIFLUOROPHENYL)ETHYLAMINE

AG00ECIY

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CAS Number	603951-43-5
Catalog Number	AG00ECIY(AGN-PC-0KBOK4)
Chemical Name	1-(2',4'-DIFLUOROPHENYL)ETHYLAMINE
IUPAC Name	1-(2,4-difluorophenyl)ethanamine
InChI	InChI=1S/C8H9F2N/c1-5(11)7-3-2-6(9)4-8(7)10/h2-5H,11H2,1H3
InChI Key	VBPKWFKAYDHOQW-UHFFFAOYSA-N
MDL Number	MFCD04116332
Molecular Formula	C8H9F2N
Molecular Weight	157.1606
SMILES	CC(N)C1=C(F)C=C(F)C=C1
Synonyms	1-(2,4-difluorophenyl)ethanamine, 603951-43-5, 1-(2',4'-Difluorophenyl)ethylamine, 1-(2,4-difluorophenyl)ethylamine, 2,4-Difluoro-a-methylbenzenemethanamine, 1-(2,4-DIFLUOROPHENYL)ETHAN-1-AMINE, 1-(2,4-Difluorophenyl)-ethylamine, 1-[2,4-bis(fluoranyl)phenyl]ethanamine, AC1NLOAP, SCHEMBL706808, AC1Q2B71, CTK8B7528, DTXSID10407263, VBPKWFKAYDHOQW-UHFFFAOYSA-N, 1-(2,4-di-fluorophenyl)ethanamine, 8997AB, ANW-57580, MFCD04116332, SBB070063, STL069437, AKOS000264587, AKOS016842865, AS00800, MCULE-9491967879, TRA0005173, 1-(2\',4\'-Difluorophenyl)ethylamine, 2,4-Difluoro-|A-methylbenzenemethanamine, AK-73153, AK-75696, BS-13373, SC-67099, SY008887, 2,4-Difluoro-alpha-Methylbenzenemethanamine, AB0068048, RT-005927, 4CH-005355, 4CH-007052, FT-0658858, ST24037012, EN300-10539, MFCD06761833 (96%), D80180, Y-1222, A832715, A840829, J-501751, J-502116, J-507207, S01-0268, (AlphaS)-2,4-difluoro-alpha-methylbenzenemethanamine, (R)-1-(2,4-Difluorophenyl)ethanamine, C8H9F2N, (S)-1-(2,4-Difluorophenyl)ethanamine, ACN-050066, CID4986250, (1R)-1-(2,4-difluorophenyl)ethanamine, (1S)-1-(2,4-difluorophenyl)ethanamine, 791098-84-5, (R)-1-(2,4-Difluorophenyl)ethanamine hydrochloride, 845252-02-0, Benzenemethanamine, 2,4-difluoro-alpha-methyl- (9CI),

Complexity	129
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	157.07g/mol
Formal Charge	0
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	157.164g/mol
Monoisotopic Mass	157.07g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	26A^2
Undefined Atom Stereocenter Count	1
Undefined Bond Stereocenter Count	0
XLogP3	1.4

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	8
Hazard statements	H314
Packing Group	Ⅲ
Precautionary statements	P260-P264-P280-P301+P330+P331-P303+P361+P353-P304+P340-P305+P351+P338-P310-P321-P363-P405-P501
UN Code	UN 2735

Certificate of Analysis

Lot Number