AG003T5U

96-54-8 | 1H-​Pyrrole, 1-​methyl-

AG003T5U

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CAS Number	96-54-8
Catalog Number	AG003T5U(AGN-PC-0WA4O7)
Chemical Name	1H-​Pyrrole, 1-​methyl-
EC Number	202-513-7
IUPAC Name	1-methylpyrrole
InChI	InChI=1S/C5H7N/c1-6-4-2-3-5-6/h2-5H,1H3
InChI Key	OXHNLMTVIGZXSG-UHFFFAOYSA-N
MDL Number	MFCD00005345
Molecular Formula	C5H7N
Molecular Weight	81.1158
NSC Number	65440
SMILES	Cn1cccc1
UNII	NG5GPN98ZG
Synonyms	1-methylpyrrole, N-methylpyrrole, 1-Methyl-1H-pyrrole, 1-Methylpyrrole, N-METHYLPYRROLE, 96-54-8, N-Methyl pyrrole, 1H-Pyrrole, 1-methyl-, Pyrrole, 1-methyl-, Methylpyrrole, N-Methylpyrrol, 1-methylpyrrol, UNII-NG5GPN98ZG, CCRIS 2934, EINECS 202-513-7, MFCD00005345, NSC 65440, NG5GPN98ZG, CHEBI:89012, OXHNLMTVIGZXSG-UHFFFAOYSA-N, N-Methylpyrrole, 99+%, 1-methyl-pyrrol, N-methyl-pyrrole, 1-methyl-pyrrole, pyrrole,1-methyl-, 1-methyl-1h-pyrrol, PubChem10822, 1h-pyrrole,1-methyl-, N-Methylpyrrole, 99%, AC1L1OGS, AC1Q3ZPU, ACMC-20aj04, 1-Methylpyrrole, >=99%, DSSTox_CID_31221, DSSTox_GSID_52648, CHEMBL1234459, DTXSID3052648, NSC65440, ZINC1692446, 1-Methyl-3H-pyrrole-1-ium-3-ide, 1-Methylpyrrole, analytical standard, Tox21_303918, ANW-75554, NSC-65440, STL183826, AKOS000120156, CS-W001239, MCULE-4929965979, RP18387, CAS-96-54-8, NCGC00357166-01, AJ-30141, AN-24355, CJ-28228, SC-23117, DB-038212, LS-136988, ST2408824, TC-164299, FT-0084942, FT-0608093, M0414, W9812, M-6069, 48278-EP2292621A1, 48278-EP2311494A1, I14-6533, W-100140, Z57127895, F0001-2301, InChI=1/C5H7N/c1-6-4-2-3-5-6/h2-5H,1H, 2-[4-(4-methoxybenzoyl)piperazin-1-yl]-1-morpholino-ethanone, MR3, N-metilpirrol, 1-metilpirrol, Methylpyrrole, N-, Pirrol, 1-metil-, n-methyl-1h-pyrrole, 1-metil-1H-pirrol, 1h-pirrol, 1-metil-, C5H7N, Pyrrole 1-methyl-(8CI), C5-H7-N, CID7304, AR-1C4361, N-Methylpyrrole, 99% - 100G 100g, 3009-04-9,

Complexity	37.2
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	81.058g/mol
Formal Charge	0
Heavy Atom Count	6
Hydrogen Bond Acceptor Count	0
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	81.118g/mol
Monoisotopic Mass	81.058g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	4.9A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.2

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	3
Hazard statements	H225-H315-H319-H335
Packing Group	Ⅱ
Precautionary statements	P210-P261-P305+P351+P338
UN Code	UN 1993

Certificate of Analysis

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