Ferroptosis-IN-6

CAT: 0127-BUP19413-01Size: 10 mgDry Ice: NoHazardous: No

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CAT#:0127-BUP19413-01Size:10 mg

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CAS Number

1517780-59-4

Purity

=98%

Smiles

OC=1C(=CC=CC1C)NCC2=CC=C(C=C2)C

Chemical Information

Ferroptosis-IN-6

CAS Number	1517780-59-4
PubChem CID	82680089
IUPAC Name	2-methyl-6-[(4-methylphenyl)methylamino]phenol
Molecular Formula	C15H17NO
Molecular Weight	227.30
XLogP	3.8
Topological Polar Surface Area	32.3
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	3
Heavy Atom Count	17
Formal Charge	0
Complexity	223

SMILES

CC1=CC=C(C=C1)CNC2=CC=CC(=C2O)C

InChI

InChI=1S/C15H17NO/c1-11-6-8-13(9-7-11)10-16-14-5-3-4-12(2)15(14)17/h3-9,16-17H,10H2,1-2H3

InChIKey

DPIILYUBOSNTOP-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1517780-59-4

CID: 82680089

Formula: C15H17NO

MW: 227.30

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	227.30
XLogP3	3.8
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	3
Exact Mass	227.131014166
Monoisotopic Mass	227.131014166
Topological Polar Surface Area	32.3 Å²
Heavy Atom Count	17
Formal Charge	0
Complexity	223
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
BUP22421-01	Ferroptosis-IN-8
BICL2356-01	Methyl 6,6',6''-trideoxy-6,6',6''-triiodo-ß-D-cellohexaoside
BICL2357-01	Methyl 6,6',6''-trideoxy-6,6',6''-triiodo-ß-D-cellotrioside
PC1002678-01	6,6,6-Trifluorohexanoic acid
BUP05631	CDK4/6-IN-6
OR1044037-01	Nylon 6/6
OR1049560-01	6,6'-Biquinoline
OR52345-01	6,6-Dimethylfulvene
PC7812-01	6,6,6-Trifluoro-DL-norleucine
BICL2205-01	6,6'-Diazido-6,6'-dideoxy-a, a-D-trehalose hexaacetate

Catalog	Name
BA3425-10	Ferroptosis-IN-6
HY-168097	Ferroptosis inducer-6
OM641615	Human Ferroptosis (Ferroptosis) ELISA Kit
OM641616-01	Mouse Ferroptosis (Ferroptosis) ELISA Kit
HY-149670	Ferroptosis-IN-3
T210138-01	Ferroptosis-IN-9
T203298-01	Ferroptosis-IN-16
T200858-01	Ferroptosis-IN-15
HY-161460-01	Ferroptosis-IN-7
T79945-01	Ferroptosis-IN-1