AG004SNI

84697-13-2 | [4-(tert-butoxy)phenyl]methanamine

AG004SNI

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CAS Number	84697-13-2
Catalog Number	AG004SNI(AGN-PC-0KNY9J)
Chemical Name	[4-(tert-butoxy)phenyl]methanamine
EC Number	283-723-6
IUPAC Name	[4-[(2-methylpropan-2-yl)oxy]phenyl]methanamine
InChI	InChI=1S/C11H17NO/c1-11(2,3)13-10-6-4-9(8-12)5-7-10/h4-7H,8,12H2,1-3H3
InChI Key	HOKKUMFXFSCQHJ-UHFFFAOYSA-N
MDL Number	MFCD06213869
Molecular Formula	C11H17NO
Molecular Weight	179.2588
SMILES	CC(C)(C)OC1=CC=C(CN)C=C1
Synonyms	84697-13-2, (4-(tert-Butoxy)phenyl)methanamine, 4-TERT-BUTOXY-BENZYLAMINE, 4-tert-Butoxybenzylamine, (4-tert-butoxyphenyl)methanamine, [4-(tert-butoxy)phenyl]methanamine, [4-[(2-methylpropan-2-yl)oxy]phenyl]methanamine, Benzenemethanamine, 4-(1,1-dimethylethoxy)-, EINECS 283-723-6, AC1Q1NH3, 4-Tert-butoxybenzeneMethanaMine, AC1MI912, SCHEMBL2369731, CTK5F2963, DTXSID90233704, 3022AC, ZINC20506837, AKOS008119111, AB23467, MCULE-7678977341, NE62347, TRA0099632, WT82622, AJ-77832, SC-12405, DB-076097, Benzenemethanamine,4-(1,1-dimethylethoxy)-, FT-0690942, (4-tert-Butoxyphenyl)methanamine, AldrichCPR, EN300-55516, A840895, C11H17NO, C11-H17-N-O, CID3020083,

Complexity	143
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	179.131g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	179.263g/mol
Monoisotopic Mass	179.131g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	35.2A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.7

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H319
Packing Group
Precautionary statements	P305+P351+P338
UN Code

Certificate of Analysis

Lot Number