Alpha-Naphthyl butyrate

CAT: 0926-FN69862Size: 25 gDry Ice: NoHazardous: No

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CAT#:0926-FN69862Size:25 g

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CAS Number

3121-70-8

Synonyms

Butyric acid-1-naphthyl ester

MDL Number

MFCD00003923

Smiles

CCCC (=O) OC1=CC=CC2=CC=CC=C21

Molecular Formula

C14H14O2

Molecular Weight

214.26 g/mol

Controlled

Chemical Information

alpha-Naphthyl butyrate

CAS Number	3121-70-8
PubChem CID	76571
IUPAC Name	naphthalen-1-yl butanoate
Molecular Formula	C14H14O2
Molecular Weight	214.26
XLogP	3.6
Topological Polar Surface Area	26.3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	4
Heavy Atom Count	16
Formal Charge	0
Complexity	237

SMILES

CCCC(=O)OC1=CC=CC2=CC=CC=C21

InChI

InChI=1S/C14H14O2/c1-2-6-14(15)16-13-10-5-8-11-7-3-4-9-12(11)13/h3-5,7-10H,2,6H2,1H3

InChIKey

XIVJNRXPRQKFRZ-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 3121-70-8

CID: 76571

Formula: C14H14O2

MW: 214.26

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	214.26
XLogP3	3.6
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	4
Exact Mass	214.099379685
Monoisotopic Mass	214.099379685
Topological Polar Surface Area	26.3 Å²
Heavy Atom Count	16
Formal Charge	0
Complexity	237
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
EN10875-01	2-Naphthyl butyrate
CAA93663-01	Alpha- (1-Naphthyl) benzylamine
N-2230-01	2-Naphthyl-alpha-L-fucopyranoside
N-2300-01	2-Naphthyl-alpha-D-glucopyranoside
FA110825-01	Ac-Ala-alpha-naphthyl ester
FH170070	Hexyl butyrate
FG39333-01	Glycidyl butyrate
FE156672-01	Ethyl butyrate
FS32760-01	Sodium butyrate
FC172310-01	Chloromethyl butyrate

Catalog	Name
N02350-01	A-Naphthyl butyrate
TXB-00075-01	1-Naphthyl butyrate
258012-01	2-Naphthyl butyrate
OR1015475-01	Alpha, alpha-Dimethylphenethyl butyrate
sc-291874	Alpha-Naphthyl Palmitate
OR1027674-01	Alpha- (1-Naphthyl) benzylamine
TRC-N378402-25MG	alpha-Naphthyl-d7 Glycidyl Ether
TRC-N378400-1G	alpha-Naphthyl Glycidyl Ether, 90%
TRC-N378395-500MG	S-(+)-Alpha-Naphthyl Glycidyl Ether
TRC-N378175-50MG	Alpha-Naphthyl Sulfate Potassium Salt