AG003I7O

244022-71-7 | Benzenemethanamine, 3-(difluoromethoxy)- (9CI)

AG003I7O

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CAS Number	244022-71-7
Catalog Number	AG003I7O(AGN-PC-0KBPDS)
Chemical Name	Benzenemethanamine, 3-(difluoromethoxy)- (9CI)
IUPAC Name	[3-(difluoromethoxy)phenyl]methanamine
InChI	InChI=1S/C8H9F2NO/c9-8(10)12-7-3-1-2-6(4-7)5-11/h1-4,8H,5,11H2
InChI Key	SYAQBBDPVPDVLJ-UHFFFAOYSA-N
MDL Number	MFCD00236230
Molecular Formula	C8H9F2NO
Molecular Weight	173.1600
SMILES	NCC1=CC=CC(OC(F)F)=C1
Synonyms	244022-71-7, (3-(Difluoromethoxy)phenyl)methanamine, 3-(Difluoromethoxy)benzylamine, [3-(difluoromethoxy)phenyl]methanamine, 3-(Difluoromethoxy)benzyl amine, 1-[3-(difluoromethoxy)phenyl]methanamine, MFCD00236230, Benzenemethanamine, 3-(difluoromethoxy)-, [3-(difluoromethoxy)phenyl]methylamine, ACMC-20alqb, Benzenemethanamine, 3-(difluoromethoxy)- (9CI), 3-difluoromethoxy-benzylamine, AKOS AKM00964, SCHEMBL297093, AC1M146F, AC1Q540R, RARECHEM AL BW 0866, AKOS BBV-013605, CTK4F3594, [3-(difluoromethoxy)benzyl]amine, DTXSID70366241, OTAVA-BB 1268129, SYAQBBDPVPDVLJ-UHFFFAOYSA-N, KS-00000FP1, ZINC2560131, SBB073438, STL411848, N-METHYLPYRIDINE-3-METHANAMINE, AKOS000132188, AS02237, CS-W021079, FS-1151, MCULE-8757999642, RTR-039918, Benzenemethanamine,3-(difluoromethoxy)-, NCGC00327898-01, AJ-40466, AK135195, SC-41344, 3-(difluoromethoxy)benzylamine, AldrichCPR, 3-(Difluoromethoxy)-1-(aminomethyl)benzene, TR-039918, [3-[bis(fluoranyl)methoxy]phenyl]methanamine, 4CH-022318, D5164, FT-0708789, ST24034266, ST45256030, X8223, N-METHYL-N-(PYRIDIN-3-YL)METHYLAMINE, AB01323683-02, A817283, I14-102820, 3-Picolylmethylamine, C8H9F2NO, 3-(Methylaminomethyl)pyridine, N-methyl-3-pyridylmethylamine, N-Methyl-3-pyridinemethylamine, methyl(pyridin-3-ylmethyl)amine, 3-(N-Methylaminomethyl)pyridine, N-Methyl-N-(3-pyridylmethyl)amine, ALPHA-METHYLAMINO-3-PICOLINE, N-METHYL-3-PYRIDINEMETHANAMINE, N-methyl-1-(pyridin-3-yl)methanamine, CID2063350, Benzenemethanamine,3-(difluoromethoxy)-(9CI),

Complexity	132
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	173.065g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	173.163g/mol
Monoisotopic Mass	173.065g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	35.2A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.8

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	8
Hazard statements	H314
Packing Group	Ⅲ
Precautionary statements	P280-P305+P351+P338-P310
UN Code	UN 2735

Certificate of Analysis

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