AG00BIOV

214839-73-3 | 4-(2-AMINOETHYL)-5-METHYL-1,2-DIHYDRO-3H-PYRAZOL-3-ONE

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CAS Number	214839-73-3
Catalog Number	AG00BIOV(AGN-PC-0LFZE9)
Chemical Name	4-(2-AMINOETHYL)-5-METHYL-1,2-DIHYDRO-3H-PYRAZOL-3-ONE
IUPAC Name	4-(2-aminoethyl)-5-methyl-1,2-dihydropyrazol-3-one
InChI	InChI=1S/C6H11N3O/c1-4-5(2-3-7)6(10)9-8-4/h2-3,7H2,1H3,(H2,8,9,10)
InChI Key	GTTHJSHNPZUIAV-UHFFFAOYSA-N
MDL Number	MFCD06653442
Molecular Formula	C6H11N3O
Molecular Weight	141.1710
SMILES	O=C1NNC(C)=C1CCN
Synonyms	214839-73-3, 4-(2-Aminoethyl)-5-methyl-1H-pyrazol-3(2H)-one, 4-(2-aminoethyl)-1,2-dihydro-5-methyl-3H-Pyrazol-3-one, 4-(2-aminoethyl)-5-methyl-1,2-dihydro-3H-pyrazol-3-one, 4-(2-aminoethyl)-5-methyl-2,3-dihydro-1H-pyrazol-3-one, AC1NFX7X, 4-(2-aminoethyl)-5-methyl-1,2-dihydropyrazol-3-one, SCHEMBL15318187, KS-00000SPJ, BBL021077, MFCD06653442, STK893783, ZINC34676241, AKOS001476893, DS-8384, MCULE-5473957307, AK163885, K-6146, CID4715331,

Complexity	185
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	141.09g/mol
Formal Charge	0
Heavy Atom Count	10
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	3
Isotope Atom Count	0
Molecular Weight	141.174g/mol
Monoisotopic Mass	141.09g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	67.2A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	-0.6

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H332-H335
Packing Group
Precautionary statements	P280-P305+P351+P338-P310
UN Code

Certificate of Analysis

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