AG00EEIW

6249-56-5 | (3-Carboxypropyl)trimethylammonium chloride

AG00EEIW

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CAS Number	6249-56-5
Catalog Number	AG00EEIW(AGN-PC-0JKGKO)
Chemical Name	(3-Carboxypropyl)trimethylammonium chloride
IUPAC Name	3-carboxypropyl(trimethyl)azanium;chloride
InChI	InChI=1S/C7H15NO2.ClH/c1-8(2,3)6-4-5-7(9)10;/h4-6H2,1-3H3;1H
InChI Key	GNRKTORAJTTYIW-UHFFFAOYSA-N
MDL Number	MFCD00011905
Molecular Formula	C7H16ClNO2
Molecular Weight	181.6604
SMILES	C(CCC(=O)O)[N+](C)(C)C.[Cl-]
Synonyms	4-N-trimethylaminobutyrate, N-trimethyl-GABA, trimethylaminobutyrate, trimethylaminobutyrate iodide, 6249-56-5, 3-Carboxy-N,N,N-trimethylpropan-1-aminium chloride, Trimethylaminobutyrate, (3-Carboxypropyl)trimethylammonium chloride, gamma-Butyrobetaine hydrochloride, gamma-Butyrobetain-chlorid [German], 1-Propanaminium, 3-carboxy-N,N,N-trimethyl-, chloride, 3-Carboxy-N,N,N-trimethyl-1-propanaminium chloride, AMMONIUM, (3-CARBOXYPROPYL)TRIMETHYL-, CHLORIDE, AK114606, Deoxycarnitine hydrochloride, 1-Propanaminium,3-carboxy-N,N,N-trimethyl-, chloride (1:1), gamma-Butyrobetain-chlorid, AC1Q1RUO, AC1L2KQ5, SCHEMBL1758660, CTK5B5181, MFCD00011905, AKOS015917353, DS-3817, HY-113270A, MCULE-2639547018, (3-carboxypropyl)trimethylazanium chloride, 3-carboxypropyl(trimethyl)azanium,chloride, 4-(trimethylamino)butanoic acid, chloride, LS-17139, (3-Carboxypropyl)trimethyl ammoniumchloride, 3-carboxypropyl(trimethyl)ammonium chloride, AX8045070, TX-012727, CS-0080097, FT-0706963, ST24041992, ST51038298, KS-00001927, (4-hydroxy-4-oxobutyl)-trimethylazanium chloride, A833809, C-45723, I14-9877, (3-Carboxypropyl)trimethylammonium chloride, technical grade, 1-Propanaminium, 3-carboxy-N,N,N-trimethyl-, chloride (9CI), trimethyl-(4-oxidanyl-4-oxidanylidene-butyl)azanium chloride, (3-Carboxypropyl)trimethylammonium chloride (Synonyms: gamma-Butyrobetaine hydrochloride), trimethylammoniumchloride, Gamma-butyrobetaine HCL, C7H15NO2.Cl, |A-Butyrobetaine hydrochloride, C7-H15-N-O2.Cl, CID22620, (3-CARBOXYPROPYL)TRIMETHYLAMMONIUMCHLORIDE, 3-Carboxy-N,N,N-trimethylpropan-1-aminiumchloride,

Complexity	115
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	2
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	181.087g/mol
Formal Charge	0
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	181.66g/mol
Monoisotopic Mass	181.087g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	37.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number