AG003Q65

870-85-9 | Ethyl 3-(Methylamino)-2-butenoate

AG003Q65

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CAS Number	870-85-9
Catalog Number	AG003Q65(AGN-PC-0JOJYL)
Chemical Name	Ethyl 3-(Methylamino)-2-butenoate
IUPAC Name	ethyl (E)-3-(methylamino)but-2-enoate
InChI	InChI=1S/C7H13NO2/c1-4-10-7(9)5-6(2)8-3/h5,8H,4H2,1-3H3/b6-5+
InChI Key	FARYTWBWLZAXNK-AATRIKPKSA-N
MDL Number	MFCD00026904
Molecular Formula	C7H13NO2
Molecular Weight	143.1836
NSC Number	61982
SMILES	C/C(NC)=CC(OCC)=O
Synonyms	870-85-9, Ethyl 3-(methylamino)-2-butenoate, Ethyl 3-(methylamino)crotonate, 3-METHYLAMINO-BUT-2-ENOIC ACID ETHYL ESTER, (E)-Ethyl 3-(methylamino)but-2-enoate, Ethyl .beta.-(methylamino)crotonate, 2-Butenoic acid,3-(methylamino)-, ethyl ester, AC1NSSDO, PubChem12807, Crotonic acid, 3-(methylamino)-, ethyl ester, ethyl b-methylaminocrotonate, EBD5955, FARYTWBWLZAXNK-AATRIKPKSA-N, NSC61982, FCH949803, NSC-61982, ZINC16022336, AKOS000280700, FCH2254014, FCH3460746, ethyl (E)-3-(methylamino)but-2-enoate, 21759-71-7, AK164490, CJ-15257, CS-11344, 3-(Methylamino)isocrotonic acid ethyl ester, LS-191272, TR-032726, Ethyl (2E)-3-(methylamino)-2-butenoate #, 870M859, I14-0543, 3-(Methylamino)crotonic acid ethyl ester; 3-(Methylamino)-2-butenoic acid ethyl ester, Ethyl3- -2-butenoate, Crotonic acid, ethyl ester, 2-Butenoic acid, ethyl ester, ethyl N-methyl-beta-aminocrotonate, CID5369131, 2-Butenoic acid, 3-(methylamino)-, ethyl ester,

Complexity	141
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	1
Exact Mass	143.095g/mol
Formal Charge	0
Heavy Atom Count	10
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	143.186g/mol
Monoisotopic Mass	143.095g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	38.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.6

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

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