AG003K8X

80936-82-9 | 4-(Methoxymethyl)aniline

AG003K8X

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CAS Number	80936-82-9
Catalog Number	AG003K8X(AGN-PC-0046FQ)
Chemical Name	4-(Methoxymethyl)aniline
IUPAC Name	4-(methoxymethyl)aniline
InChI	InChI=1S/C8H11NO/c1-10-6-7-2-4-8(9)5-3-7/h2-5H,6,9H2,1H3
InChI Key	URSADVDNUKPSIK-UHFFFAOYSA-N
MDL Number	MFCD06804487
Molecular Formula	C8H11NO
Molecular Weight	137.1790
SMILES	NC1=CC=C(COC)C=C1
Synonyms	4-(METHOXYMETHYL)ANILINE, 80936-82-9, Benzenamine, 4-(methoxymethyl)-, 4-methoxymethylaniline, 4-(methoxymethyl)benzenamine, SCHEMBL513260, [4-(methoxymethyl)phenyl]amine, SCHEMBL3509980, Benzenamine,4-(methoxymethyl)-, CTK5E8338, DTXSID50570102, BBL030690, KM2051, MFCD06804487, STL368234, ZINC22204322, 4-(methoxymethyl)aniline, AldrichCPR, AKOS000111564, MCULE-5948301745, TRA0002180, KS-000009S5, AJ-81293, AK-78891, CJ-17364, DS-17520, SC-27702, SY003771, AB0059940, DB-018686, TC-307563, FT-0717116, V7837, MFCD06804487 (97%), 139421-EP2270008A1, 139421-EP2292617A1, I01-10037, Z1881620576, C8H11NO, 71597-85-8,

Complexity	87.3
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	0.3

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H412
Packing Group
Precautionary statements	P273
UN Code

Certificate of Analysis

Lot Number