AG000D8G

1168139-41-0 | Benzenemethanamine, α-ethyl-3-fluoro-, hydrochloride (1:1), (αR)-

AG000D8G

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CAS Number	1168139-41-0
Catalog Number	AG000D8G(AGN-PC-0WA2GY)
Chemical Name	Benzenemethanamine, α-ethyl-3-fluoro-, hydrochloride (1:1), (αR)-
IUPAC Name	(1R)-1-(3-fluorophenyl)propan-1-amine;hydrochloride
InChI	InChI=1S/C9H12FN.ClH/c1-2-9(11)7-4-3-5-8(10)6-7;/h3-6,9H,2,11H2,1H3;1H/t9-;/m1./s1
InChI Key	ODZRCWFYKMOLKD-SBSPUUFOSA-N
MDL Number	MFCD12757045
Molecular Formula	C9H13ClFN
Molecular Weight	189.6576
SMILES	CC[C@H](C1=CC=CC(F)=C1)N.[H]Cl
Synonyms	1168139-41-0, (R)-1-(3-Fluorophenyl)propan-1-amine hydrochloride, (R)-1-(3-FLUOROPHENYL)PROPAN-1-AMINE-HCl, (1R)-1-(3-fluorophenyl)propan-1-amine hydrochloride, AK-42095, (R)-1-(3-FLUOROPHENYL)PROPAN-1-AMINE HCl, AMOT0486, KS-00000OFX, DTXSID90704161, KS-000026FF, ANW-59683, MFCD12757045, AKOS015923141, AKOS016003837, CF-1400, GS-7309, AB0000430, AX8209444, ST2402562, TC-148428, FT-0660222, X9176, B-1924, (1R)-1-(3-Fluorophenyl)propan-1-amine--hydrogen chloride (1/1), Benzenemethanamine, alpha-ethyl-3-fluoro-, hydrochloride (1:1), (alphaR)-, C9H13ClFN, ACN-040963, (R)-1-(3-Fluorophenyl)propan-1-aminehydrochloride,

Complexity	116
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	2
Defined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Exact Mass	189.072g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	189.658g/mol
Monoisotopic Mass	189.072g/mol
Rotatable Bond Count	2
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-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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