AG000SMH

1263284-04-3 | Propanoic acid, 3-amino-2,2-difluoro-, ethyl ester, hydrochloride (1:1)

AG000SMH

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CAS Number	1263284-04-3
Catalog Number	AG000SMH(AGN-PC-088Q29)
Chemical Name	Propanoic acid, 3-amino-2,2-difluoro-, ethyl ester, hydrochloride (1:1)
IUPAC Name	ethyl 3-amino-2,2-difluoropropanoate;hydrochloride
InChI	InChI=1S/C5H9F2NO2.ClH/c1-2-10-4(9)5(6,7)3-8;/h2-3,8H2,1H3;1H
InChI Key	NLRVBXSWRFLJRV-UHFFFAOYSA-N
MDL Number	MFCD13185039
Molecular Formula	C5H10ClF2NO2
Molecular Weight	189.5882
SMILES	Cl.NCC(C(=O)OCC)(F)F
Synonyms	Ethyl 3-Amino-2,2-difluoropropanoate Hydrochloride, 1263284-04-3, Ethyl 2,2-difluoro-3-aminopropanoate hydrochloride, 541547-37-9, Ethyl 2,2-difluoro-3-amino-propanoate hydrochloride, ethyl 3-amino-2,2-difluoropropanoate HCl, ethyl 3-amino-2,2-difluoropropanoate;hydrochloride, PubChem17369, C5H9F2NO2.HCl, SCHEMBL16761982, CTK3J6730, DTXSID40678787, NLRVBXSWRFLJRV-UHFFFAOYSA-N, KS-00000AO8, ANW-48625, MFCD13185039, AKOS015849698, CS-W001381, RTR-037037, TRA0024335, AS-32374, BR-42040, SC-51905, SY009755, AX8209373, ST2406852, TR-037037, X7008, Z-4086, Ethyl3-Amino-2,2-difluoropropanoateHydrochloride, MFCD13185039 (95+%), Ethyl 2,2-difluoro-3-amino-propanoate hydrochlorid, I14-14060, F2147-6852, Ethyl 3-amino-2,2-difluoropropanoate--hydrogen chloride (1/1), Propanoic acid, 3-amino-2,2-difluoro-, ethyl ester, hydrochloride (1:1),

Complexity	127
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	2
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	189.037g/mol
Formal Charge	0
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	189.587g/mol
Monoisotopic Mass	189.037g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	52.3A^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

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