AG0022KA

1810070-00-8 | 1-Naphthalenepropanoic acid, β-amino-4-fluoro-, hydrochloride (1:1)

AG0022KA

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CAS Number	1810070-00-8
Catalog Number	AG0022KA(AGN-PC-0WAMA7)
Chemical Name	1-Naphthalenepropanoic acid, β-amino-4-fluoro-, hydrochloride (1:1)
IUPAC Name	3-amino-3-(4-fluoronaphthalen-1-yl)propanoic acid;hydrochloride
InChI	InChI=1S/C13H12FNO2.ClH/c14-11-6-5-10(12(15)7-13(16)17)8-3-1-2-4-9(8)11;/h1-6,12H,7,15H2,(H,16,17);1H
InChI Key	UEXQFINGQDQACH-UHFFFAOYSA-N
MDL Number	MFCD28986163
Molecular Formula	C13H13ClFNO2
Molecular Weight	269.6992
SMILES	O=C(O)CC(N)C1=C2C=CC=CC2=C(F)C=C1.[H]Cl
Synonyms	3-Amino-3-(4-fluoronaphthalen-1-yl)propanoic acid hydrochloride, 1810070-00-8, 3-Amino-3-(4-fluoronaphthyl)propanoic acid-HCl, 3-AMINO-3-(4-FLUORONAPHTHYL)PROPANOIC ACID HCl, KS-00000T0X, MFCD28986163, AKOS025395779, DS-8152, AK172738, AX8297052, 3-amino-3-(4-fluoronaphthalen-1-yl)propanoic acid;hydrochloride, 1-Naphthalenepropanoic acid, beta-amino-4-fluoro-, hydrochloride (1:1),

Complexity	285
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	2
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	269.062g/mol
Formal Charge	0
Heavy Atom Count	18
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	3
Isotope Atom Count	0
Molecular Weight	269.7g/mol
Monoisotopic Mass	269.062g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	63.3A^2
Undefined Atom Stereocenter Count	1
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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