AG00996V

1055943-40-2 | (E)-4-(Dimethylamino)but-2-enoyl chloride hydrochloride

AG00996V

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CAS Number	1055943-40-2
Catalog Number	AG00996V(AGN-PC-0WQUGG)
Chemical Name	(E)-4-(Dimethylamino)but-2-enoyl chloride hydrochloride
IUPAC Name	4-(dimethylamino)but-2-enoyl chloride;hydrochloride
InChI	InChI=1S/C6H10ClNO.ClH/c1-8(2)5-3-4-6(7)9;/h3-4H,5H2,1-2H3;1H
InChI Key	FPAHELIXMHBDLQ-UHFFFAOYSA-N
MDL Number	MFCD25954962
Molecular Formula	C6H11Cl2NO
Molecular Weight	184.0636
SMILES	O=C(/C=C/CN(C)C)Cl.[H]Cl
Synonyms	1055943-40-2, FPAHELIXMHBDLQ-UHFFFAOYSA-N, 4-(Dimethylamino)-2-butenoyl chloride hydrochloride, (E)-4-(dimethylamino)but-2-enoyl chloride hydrochloride, (2e)-4-(dimethylamino)but-2-enoyl chloride hydrochloride, 501332-27-0,

Complexity	120
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	2
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	183.022g/mol
Formal Charge	0
Heavy Atom Count	10
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	184.06g/mol
Monoisotopic Mass	183.022g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	20.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	1

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

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