AG00IBSS

68165-06-0 | 3-Pyrrolidinone, 1-methyl-

AG00IBSS

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CAS Number	68165-06-0
Catalog Number	AG00IBSS(AGN-PC-0JMTSY)
Chemical Name	3-Pyrrolidinone, 1-methyl-
IUPAC Name	1-methylpyrrolidin-3-one
InChI	InChI=1S/C5H9NO/c1-6-3-2-5(7)4-6/h2-4H2,1H3
InChI Key	SLPUTJFVMJPMKV-UHFFFAOYSA-N
MDL Number	MFCD09991706
Molecular Formula	C5H9NO
Molecular Weight	99.1311
SMILES	CN1CCC(=O)C1
Synonyms	1-Methylpyrrolidin-3-one, 68165-06-0, 1-methyl-3-pyrrolidinone, 3-Pyrrolidone, 1-methyl-, 1-methyl-3-pyrrolidone, 3-Pyrrolidinone, 1-methyl-, MFCD09991706, PubChem20342, AC1L3OVX, AC1Q3ZMA, 1-Methyl-pyrrolidin-3-one, KSC497Q2T, 1METHYL-3-PYRROLIDINONE, CTK3J7829, 1-methyl-1-azacyclopentan-4-one, DTXSID80218343, 1-Methyl-3-pyrrolidinone, 97%, SLPUTJFVMJPMKV-UHFFFAOYSA-N, ACT01732, ZINC5966305, ANW-49638, AKOS007930510, AC-7086, AN-4664, CM-1195, MCULE-4017029823, PB26542, RP08539, RTC-063738, AJ-55348, BR-32271, SC-20022, AB0010105, AB1001796, DB-024633, ST2408848, TC-063738, 4CH-014587, A9093, AM20100632, CS-0043579, FT-0650378, EN300-52236, S-3553, 165M060, J-504932, Z812517048, null, C5H9NO, (S)-(-)-1-FMOC-3-pyrrolidinol, CID144283, ACN-036020,

Complexity	90.1
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	99.068g/mol
Formal Charge	0
Heavy Atom Count	7
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	99.133g/mol
Monoisotopic Mass	99.068g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	20.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	-0.2

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	3
Hazard statements	H226-H315-H317-H318-H335
Packing Group	Ⅲ
Precautionary statements	P261-P280-P305+P351+P338
UN Code	UN 1993

Certificate of Analysis

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