AG003I8N

53473-83-9 | 3-(Methoxymethyl)aniline

AG003I8N

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CAS Number	53473-83-9
Catalog Number	AG003I8N(AGN-PC-00KLC6)
Chemical Name	3-(Methoxymethyl)aniline
IUPAC Name	3-(methoxymethyl)aniline
InChI	InChI=1S/C8H11NO/c1-10-6-7-3-2-4-8(9)5-7/h2-5H,6,9H2,1H3
InChI Key	IRMGVBTVFRYBGN-UHFFFAOYSA-N
MDL Number	MFCD06804494
Molecular Formula	C8H11NO
Molecular Weight	137.1790
SMILES	NC1=CC=CC(COC)=C1
Synonyms	3-(methoxymethyl)aniline, 53473-83-9, Benzenamine, 3-(methoxymethyl)-, 3-(methoxymethyl)benzenamine, AC1Q4FKG, ACMC-209l7t, 3-(methoxymethyl)phenylamine, SCHEMBL633486, CTK4J8144, DTXSID10516107, IRMGVBTVFRYBGN-UHFFFAOYSA-N, ALBB-024619, ANW-31767, MFCD06804494, ZINC19398609, AKOS000163210, MCULE-8928403567, TRA0079769, KS-000009S6, 3-(methoxymethyl)aniline sulfate (salt), AJ-73080, BS-13225, CJ-16120, SC-27322, SY003772, AB0059943, DB-018736, TC-120512, FT-0649927, ST45026103, V6465, EN300-31924, K-9699, MFCD06804494 (97+%), I01-10013, Z1245633123, 3-Methoxymethylaniline, 3- ANILINE, C8H11NO, [3-(methoxymethyl)phenyl]amine sulfate (salt),

Complexity	95.3
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	137.084g/mol
Formal Charge	0
Heavy Atom Count	10
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	137.182g/mol
Monoisotopic Mass	137.084g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	35.2A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.5

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302
Packing Group
Precautionary statements	P280-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number