AG003T6E

56222-08-3 | N-Methyl-1-(2-nitrophenyl)methanamine

AG003T6E

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CAS Number	56222-08-3
Catalog Number	AG003T6E(AGN-PC-0JQT8F)
Chemical Name	N-Methyl-1-(2-nitrophenyl)methanamine
IUPAC Name	N-methyl-1-(2-nitrophenyl)methanamine
InChI	InChI=1S/C8H10N2O2/c1-9-6-7-4-2-3-5-8(7)10(11)12/h2-5,9H,6H2,1H3
InChI Key	WGILVXQNSFDASI-UHFFFAOYSA-N
MDL Number	MFCD04039891
Molecular Formula	C8H10N2O2
Molecular Weight	166.1772
SMILES	CNCC1=C(C=CC=C1)[N+]([O-])=O
Synonyms	56222-08-3, 2-Nitro-N-methylbenzylamine, N-Methyl-2-Nitrobenzylamine, N-methyl-1-(2-nitrophenyl)methanamine, N-Methyl-2-nitrobenzenemethanamine, methyl[(2-nitrophenyl)methyl]amine, ACMC-20acji, AC1L8WW3, methyl-(2-nitrobenzyl)-amine, SCHEMBL2060922, CTK1G9189, WGILVXQNSFDASI-UHFFFAOYSA-N, CS-D1084, ZINC1577505, 8223AB, ANW-67180, MFCD04039891, AKOS000153950, Benzenemethanamine, N-methyl-2-nitro-, AC-9498, MCULE-7246558793, methyl-[(2-nitrophenyl)-methyl]-amine, NE54448, AJ-27410, AN-40198, AS-47549, N-methyl-N-[(2-nitrophenyl)methyl]amine, SC-54536, SY096679, AB0163254, DB-000163, RT-003992, FT-0693600, ST24048605, MFCD04039891 (97%), 222N083, I01-7386, C8H10N2O2, NSC21215, CID409438, 5441-60-1,

Complexity	156
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	166.074g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	166.18g/mol
Monoisotopic Mass	166.074g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	57.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.5

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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