Anthracene-9,10-diyldimethanamine

CAT: 0127-OR1047800-01Size: 100 mgDry Ice: NoHazardous: No

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CAT#:0127-OR1047800-01Size:100 mg

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CAS Number

6705-67-5

MDL Number

MFCD06212654

Purity

95%

Smiles

NCC(C1=C2C=CC=C1)=C3C=CC=CC3=C2CN

Chemical Information

Anthracene-9,10-dimethanamine

CAS Number	6705-67-5
PubChem CID	11481774
IUPAC Name	[10-(aminomethyl)anthracen-9-yl]methanamine
Molecular Formula	C16H16N2
Molecular Weight	236.31
XLogP	2.7
Topological Polar Surface Area	52
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Heavy Atom Count	18
Formal Charge	0
Complexity	226

SMILES

C1=CC=C2C(=C1)C(=C3C=CC=CC3=C2CN)CN

InChI

InChI=1S/C16H16N2/c17-9-15-11-5-1-2-6-12(11)16(10-18)14-8-4-3-7-13(14)15/h1-8H,9-10,17-18H2

InChIKey

NNAIIURJGYYAKE-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 6705-67-5

CID: 11481774

Formula: C16H16N2

MW: 236.31

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	236.31
XLogP3	2.7
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Exact Mass	236.131348519
Monoisotopic Mass	236.131348519
Topological Polar Surface Area	52 Å²
Heavy Atom Count	18
Formal Charge	0
Complexity	226
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
OR1037787	Anthracene-9,10-diyldimethanol
OR74832-01	Anthracene-9,10-dicarbonitrile
OR13080-01	Anthracene-9,10-dicarboxaldehyde
OR79937-01	9-Bromo-10- (9-phenanthryl) anthracene
OR1062053-01	9-Phenyl-10- (phenylethynyl) anthracene
OR1038010-01	Dimethyl anthracene-9,10-dicarboxylate
OR1062306	9-Bromo-10- (phenylethynyl) anthracene
OR92793-01	Anthracene-9,10-dicarboxylic acid
OR1055240-01	Anthracene-9,10-diyl diacetate
OR1012125-01	9,10-Bis (Diethylphosphonomethyl) Anthracene

Catalog	Name
EAA98166	Anthracene-9,10-diol
FH KO 0117-01	Anthracene-9,10-dione
FH LZ 0020-01	Anthracene-9,10-dicarbaldehyde
AQ BD AN07-01	Anthracene-9,10-dicarbonitrile
162458	9,10-Bis (phenylethynyl) anthracene
TRC-E208240-500MG	9-Ethyl-10-methyl Anthracene
TRC-B415000-1G	9,10-Bis(bromomethyl)anthracene
abx183822-01	9,10-Bis(diethylphosphonomethyl)anthracene
262706-01	9,10-Bis (bromomethyl) anthracene
sc-487323	9,10-Bis (chloromethyl) anthracene