3-Amino-2,6-dimethylphenol - CAS 6994-64-5

Name: 3-Amino-2,6-dimethylphenol
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB061261
Product Name:	3-Amino-2,6-dimethylphenol
CAS:	6994-64-5
Synonyms:	3-amino-2,6-dimethylphenol; 3-Amino-2,6-xylenol; 2,6-dimethyl-3-aminophenol; 2,6-dimethyl-3-amino phenol

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	3-amino-2,6-dimethylphenol
Molecular Weight:	137.18
Molecular Formula:	C8H11NO
Canonical SMILES:	CC1=C(C(=C(C=C1)N)C)O
InChI:	InChI=1S/C8H11NO/c1-5-3-4-7(9)6(2)8(5)10/h3-4,10H,9H2,1-2H3
InChI Key:	XSBKXUJEVYHSNO-UHFFFAOYSA-N

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Related Functional Groups

Other Building Blocks

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GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P260, P264, P270, P301+P317, P319, P330, and P501
Signal Word:	Warning

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Complexity:	116
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	137.084063974
Formal Charge:	0
Heavy Atom Count:	10
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	137.084063974
Rotatable Bond Count:	0
Topological Polar Surface Area:	46.2Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.6