AG00BD8A

2555-05-7 | 3-Methyl-2-pyrrolidinone

AG00BD8A

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CAS Number	2555-05-7
Catalog Number	AG00BD8A(AGN-PC-0JLDG1)
Chemical Name	3-Methyl-2-pyrrolidinone
EC Number	219-865-2
IUPAC Name	3-methylpyrrolidin-2-one
InChI	InChI=1S/C5H9NO/c1-4-2-3-6-5(4)7/h4H,2-3H2,1H3,(H,6,7)
InChI Key	AOCWQPKHSMJWPL-UHFFFAOYSA-N
MDL Number	MFCD00005271
Molecular Formula	C5H9NO
Molecular Weight	99.1311
SMILES	CC1CCNC1=O
Synonyms	3-Methyl-2-pyrrolidinone, 3-Methylpyrrolidin-2-one, 2555-05-7, 3-Methyl-2-pyrrolidone, 3-Methyl-2-pyrrolidinon, 2-Pyrrolidinone, 3-methyl-, AOCWQPKHSMJWPL-UHFFFAOYSA-N, MFCD00005271, methylbutyrolactim, PubChem18075, AC1L2TOS, AC1Q6GWK, 2-Pyrrolidinone,3-methyl-, 3-Methyl-pyrrolidin-2-one, CHEMBL59378, rac-3-methyl-pyrrolidin-2-one, CTK7H6357, (racemic) 3-methylpyrrolidin-2-one, EINECS 219-865-2, ANW-56529, SBB056161, AKOS006227662, CS-W004958, RP00410, VZ27071, AK-32566, BC676006, SC-21672, DB-003934, DB-008320, ST2405151, TC-071025, 4CH-017764, FT-0080695, FT-0600589, Y8455, Z-1751, I11-0160, I11-0487, W-204266, Z2216711552, C5H9NO, AR-1F4582, CID102848, ZINC05226936, 2717-05-7,

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	1
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	99.133g/mol
Monoisotopic Mass	99.068g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	29.1A^2
Undefined Atom Stereocenter Count	2
Undefined Bond Stereocenter Count	0
XLogP3	0.2

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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