AG003B1C

93457-69-3 | Pyrrolidinium, 1-​butyl-​1-​methyl-​, bromide (1:1)

AG003B1C

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CAS Number	93457-69-3
Catalog Number	AG003B1C(AGN-PC-0NEDBB)
Chemical Name	Pyrrolidinium, 1-​butyl-​1-​methyl-​, bromide (1:1)
EC Number	618-948-4
IUPAC Name	1-butyl-1-methylpyrrolidin-1-ium;bromide
InChI	InChI=1S/C9H20N.BrH/c1-3-4-7-10(2)8-5-6-9-10;/h3-9H2,1-2H3;1H/q+1;/p-1
InChI Key	LCZRPQGSMFXSTC-UHFFFAOYSA-M
MDL Number	MFCD07784439
Molecular Formula	C9H20BrN
Molecular Weight	222.1658
SMILES	C(CCC)[N+]1(C)CCCC1.[Br-]
UNII	F2F21K33C1
Synonyms	1-Butyl-1-methylpyrrolidinium bromide, 93457-69-3, N-butyl-N-methylpyrrolidinium bromide, UNII-F2F21K33C1, F2F21K33C1, N-butyl,methylpyrrolidinium bromide, N-methyl-N-butylpyrrolidinium bromide, Pyrrolidinium, 1-butyl-1-methyl-, bromide, ACMC-209rlx, DSSTox_CID_29334, DSSTox_RID_83450, DSSTox_GSID_49375, SCHEMBL1534056, CHEMBL3185280, DTXSID4049375, CTK3G9609, KS-00000VZN, LCZRPQGSMFXSTC-UHFFFAOYSA-M, Tox21_202702, ANW-40051, MFCD07784439, AKOS015833015, TRA0050258, NCGC00260250-01, AK176435, SY067065, 1-BUTYL-1-METHYLPYRROLIDINIUMBROMIDE, AB1010985, CAS-93457-69-3, TR-029267, B3427, MFCD07784439 (97%), F10082, 1-Butyl-1-methylpyrrolidinium bromide, >=99.0%, Pyrrolidinium, 1-butyl-1-methyl-, bromide (1:1), CID11009532, 1-butyl-1-methyl-2,3,4,5-tetrahydropyrrole Bromide, 1-Butyl-1-methylpyrrolidinium bromide, 99% - 25G 25g,

Complexity	92.9
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	2
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	221.078g/mol
Formal Charge	0
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	222.17g/mol
Monoisotopic Mass	221.078g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	0A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H319
Packing Group
Precautionary statements	P305+P351+P338
UN Code

Certificate of Analysis

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