Fluoranthen-3-amine

CAT: 0127-OR95561-01Size: 100 mgDry Ice: NoHazardous: No

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CAT#:0127-OR95561-01Size:100 mg

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CAS Number

2693-46-1

MDL Number

MFCD00001185

Purity

99%

Smiles

C1=CC=C2C(=C1)C3=C4C2=CC=C(C4=CC=C3)N

Chemical Information

3-Aminofluoranthene

structure given in first source

CAS Number	2693-46-1
PubChem CID	17599
IUPAC Name	fluoranthen-3-amine
Molecular Formula	C16H11N
Molecular Weight	217.26
XLogP	4.2
Topological Polar Surface Area	26
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	0
Heavy Atom Count	17
Formal Charge	0
Complexity	300

SMILES

C1=CC=C2C(=C1)C3=C4C2=CC=CC4=C(C=C3)N

InChI

InChI=1S/C16H11N/c17-15-9-8-13-11-5-2-1-4-10(11)12-6-3-7-14(15)16(12)13/h1-9H,17H2

InChIKey

VHGJAFIHUSTRGB-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 2693-46-1

CID: 17599

Formula: C16H11N

MW: 217.26

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	217.26
XLogP3	4.2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	0
Exact Mass	217.089149355
Monoisotopic Mass	217.089149355
Topological Polar Surface Area	26 Å²
Heavy Atom Count	17
Formal Charge	0
Complexity	300
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
OR51016-01	Fluoranthen-3-ylboronic acid
OR1077172-01	2- (Fluoranthen-3-yl) -2,3-dihydro-1H-naphtho[1,8-de][1,3,2]diazaborinine
OR308009	3-Methyloxetan-3-amine
OR312075	3-Phenyloxetan-3-amine
OR923042	3-Methyltetrahydrofuran-3-amine
OR52254	Oxan-3-amine
OR1038682-01	Piperidin-3-amine
OR1040117	Phenanthren-3-amine
OR322826-01	1-Boc-amino-butyl-3-amine
OR306108-01	3-Methyloxetan-3-amine hydrochloride

Catalog	Name
TN9600-01	Fluoranthen-3-amine
145-AAT	Cyanine 3 amine [equivalent to Cy3® amine]
NLC51158-01	3-Propyloxolan-3-amine
sc-483904	3-Methyloxetan-3-amine
2222-AAT	Tide Quencher™ 3 amine [TQ3 amine]
REA16948-01	3-Phenylpyrrolidin-3-amine
YKC26807-01	3-Benzyloxolan-3-amine
FD96144-01	(3,3-Difluorocyclopentyl) amine
TAC05828-01	3-benzyloxetan-3-amine
FI134341-01	(3-Isopropoxybenzyl) amine