AG003GFZ

91339-74-1 | 2-Amino-4-(tert-pentyl)phenol

AG003GFZ

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CAS Number	91339-74-1
Catalog Number	AG003GFZ(AGN-PC-0JM73H)
Chemical Name	2-Amino-4-(tert-pentyl)phenol
IUPAC Name	2-amino-4-(2-methylbutan-2-yl)phenol
InChI	InChI=1S/C11H17NO/c1-4-11(2,3)8-5-6-10(13)9(12)7-8/h5-7,13H,4,12H2,1-3H3
InChI Key	APOFDNKYFPDSLE-UHFFFAOYSA-N
MDL Number	MFCD00025183
Molecular Formula	C11H17NO
Molecular Weight	179.2588
NSC Number	315545
SMILES	OC1=CC=C(C(C)(C)CC)C=C1N
Synonyms	91339-74-1, 2-Amino-4-tert-amylphenol, 2-amino-4-(tert-pentyl)phenol, 2-Amino-4-tert-pentylphenol, 2-Amino-4-(tert-phenyl)phenol, 2-amino-4-(2-methylbutan-2-yl)phenol, NSC315545, ACMC-20ao4v, AC1Q2RWW, AC1Q2RWX, 2-amino-4-tert-amyl-phenol, SCHEMBL374909, AC1L761H, CTK6C8039, DTXSID10317434, APOFDNKYFPDSLE-UHFFFAOYSA-N, KUC106687N, ZINC163723, 2-Amino-4-tert-amylphenol, 97%, MFCD00025183, AKOS009157957, MCULE-6389147800, NSC-315545, 2-amino-4-(1,1-dimethylpropyl)phenol, AS-47771, ZB008033, 2-amino-4-(1,1-dimethyl-propyl)-phenol, KSC-11-207-18, Phenol,2-amino-4-(1,1-dimethylpropyl)-, DB-004915, Phenol, 2-amino-4-(1,1-dimethylpropyl)-, TC-170950, FT-0642197, ST51038308, X4641, InChI=1/C11H17NO/c1-4-11(2,3)8-5-6-10(13)9(12)7-8/h5-7,13H,4,12H2,1-3H, C11H17NO, CID330042,

Complexity	168
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	2
Isotope Atom Count	0
Molecular Weight	179.263g/mol
Monoisotopic Mass	179.131g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	46.2A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3

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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