AG001GC6

1413945-87-5 | Acetaldehyde, 2-(dimethylamino)-, sulfite (1:1)

AG001GC6

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CAS Number	1413945-87-5
Catalog Number	AG001GC6(AGN-PC-0WAG7L)
Chemical Name	Acetaldehyde, 2-(dimethylamino)-, sulfite (1:1)
IUPAC Name	2-(dimethylamino)acetaldehyde;sulfurous acid
InChI	InChI=1S/C4H9NO.H2O3S/c1-5(2)3-4-6;1-4(2)3/h4H,3H2,1-2H3;(H2,1,2,3)
InChI Key	XALXJVVARIGVBA-UHFFFAOYSA-N
MDL Number	MFCD27920673
Molecular Formula	C4H11NO4S
Molecular Weight	169.1994
SMILES	O=CCN(C)C.O=S(O)O
Synonyms	2-(Dimethylamino)acetaldehyde sulfite, 1413945-87-5, AK136086, SCHEMBL1366651, KS-00000RMP, MFCD27920673, AKOS022185481, DS-5280, AX8268084, ST2404030, FT-0706617, Acetaldehyde, 2-(dimethylamino)-, sulfite (1:1),

Complexity	69.1
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	2
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	169.041g/mol
Formal Charge	0
Heavy Atom Count	10
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	169.195g/mol
Monoisotopic Mass	169.041g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	97A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H332-H335
Packing Group
Precautionary statements	P261-P280-P305+P351+P338
UN Code

Certificate of Analysis

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