AG008UGJ

1118-66-7 | 4-Amino-3-penten-2-one

AG008UGJ

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CAS Number	1118-66-7
Catalog Number	AG008UGJ(AGN-PC-0JMP4Z)
Chemical Name	4-Amino-3-penten-2-one
IUPAC Name	(Z)-4-aminopent-3-en-2-one
InChI	InChI=1S/C5H9NO/c1-4(6)3-5(2)7/h3H,6H2,1-2H3/b4-3-
InChI Key	OSLAYKKXCYSJSF-ARJAWSKDSA-N
MDL Number	MFCD00043715
Molecular Formula	C5H9NO
Molecular Weight	99.1311
NSC Number	44500
SMILES	CC(/C=C(N)/C)=O
Synonyms	4-aminopent-3-en-2-one, 4-Amino-3-penten-2-one, 1118-66-7, (Z)-4-aminopent-3-en-2-one, (3Z)-4-aminopent-3-en-2-one, (Z)-4-amino-pent-3-en-2-one, 4-Amino-pent-3-en-2-one, 3-Penten-2-one, 4-amino-, AC1NS81M, AC1Q1J9I, CHEBI:51692, CHEBI:51693, (Z)-4-Amino-3-penten-2-one, OSLAYKKXCYSJSF-ARJAWSKDSA-N, NSC44500, NSC-44500, SBB007945, ZINC16001389, AKOS008967217, FR-0634, NE20054, AJ-68064, SC-89382, TC-061972, EN300-17013, J-002647, Acetylacetonamine, Pentane-2,4-dione, 4-amino-3-pentene-2-one, CID5355751, 4-Amino-3-penten-2-one, 97% - 1G 1g, P2D,

Complexity	105
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	1
Exact Mass	99.068g/mol
Formal Charge	0
Heavy Atom Count	7
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	99.133g/mol
Monoisotopic Mass	99.068g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	43.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.4

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

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