AG01DDTM

130339-50-3 | 1-[4-(TRIFLUOROMETHOXY)PHENYL]PROPAN-1-AMINE

AG01DDTM

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CAS Number	130339-50-3
Catalog Number	AG01DDTM(AGN-PC-0PJ6YA)
Chemical Name	1-[4-(TRIFLUOROMETHOXY)PHENYL]PROPAN-1-AMINE
IUPAC Name	1-[4-(trifluoromethoxy)phenyl]propan-1-amine
InChI	InChI=1S/C10H12F3NO/c1-2-9(14)7-3-5-8(6-4-7)15-10(11,12)13/h3-6,9H,2,14H2,1H3
InChI Key	ALSSGLWYMLSONR-UHFFFAOYSA-N
MDL Number	MFCD18703044
Molecular Formula	C10H12F3NO
Molecular Weight	219.2036
SMILES	CCC(C1=CC=C(OC(F)(F)F)C=C1)N
Synonyms	1-(4-(Trifluoromethoxy)phenyl)propan-1-amine, 130339-50-3, 1-[4-(trifluoromethoxy)phenyl]propan-1-amine, SCHEMBL9209206, ALSSGLWYMLSONR-UHFFFAOYSA-N, AKOS030623879, AX8297188, (R)-1-(4-(Trifluoromethoxy)phenyl)propan-1-amine, (S)-1-(4-(Trifluoromethoxy)phenyl)propan-1-amine, (1R)-1-[4-(TRIFLUOROMETHOXY)PHENYL]PROPYLAMINE, (1S)-1-[4-(TRIFLUOROMETHOXY)PHENYL]PROPYLAMINE, 1213442-20-6, 1213954-33-6,

Complexity	188
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	219.087g/mol
Formal Charge	0
Heavy Atom Count	15
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	219.207g/mol
Monoisotopic Mass	219.087g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	35.2A^2
Undefined Atom Stereocenter Count	1
Undefined Bond Stereocenter Count	0
XLogP3	2.9

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	8
Hazard statements	H314
Packing Group	Ⅲ
Precautionary statements	P264-P271-P280-P301+P330+P331-P304+P340-P305+P351+P338-P310-P363-P403+P233-P501
UN Code	UN 2735

Certificate of Analysis

Lot Number