4-Heptylaniline

CAT: 0127-OR22068-01Size: 1 gDry Ice: NoHazardous: No

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CAT#:0127-OR22068-01Size:1 g

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CAS Number

37529-27-4

MDL Number

MFCD00007928

Purity

98%

Smiles

CCCCCCCc1ccc(N)cc1

Chemical Information

4-Heptylaniline

CAS Number	37529-27-4
PubChem CID	142169
IUPAC Name	4-heptylaniline
Molecular Formula	C13H21N
Molecular Weight	191.31
XLogP	4.5
Topological Polar Surface Area	26
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	6
Heavy Atom Count	14
Formal Charge	0
Complexity	125

SMILES

CCCCCCCC1=CC=C(C=C1)N

InChI

InChI=1S/C13H21N/c1-2-3-4-5-6-7-12-8-10-13(14)11-9-12/h8-11H,2-7,14H2,1H3

InChIKey

BNEWZYZRLNNWNR-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 37529-27-4

CID: 142169

Formula: C13H21N

MW: 191.31

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	191.31
XLogP3	4.5
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	6
Exact Mass	191.167399674
Monoisotopic Mass	191.167399674
Topological Polar Surface Area	26 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	125
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
OR1043691	P-Ethoxybenzylidene p-Heptylaniline
OR1043592-01	P-Butoxybenzylidene p-Heptylaniline
OR1043557-01	P-Pentyloxybenzylidene p-Heptylaniline
PC6412	4,4,4-Trifluorobutyl 4,4,4-trifluorobutanoate
PC5215	4,4,4,4',4',4'-Hexafluorovaline hydrochloride
OR1011273-01	4,4',4'',4'''-Methanetetrayltetrabenzaldehyde
OR1011238-01	4,4,4,4-Silanetetrayltetrabenzaldehyde
OR1011275-01	4,4',4'',4'''-Methanetetrayltetraphenol
PC4810-01	4,4,4,4',4',4'-Hexafluoro-DL-valine
PC450233-01	4,4,4,4',4',4'-Hexafluorovaline, ethyl ester

Catalog	Name
sc-232740	4-Heptylaniline
H01865	P-Heptylaniline
HY-W099255-01	Ethyl 4,4,4,4',4',4'-hexafluoro-DL-valinate
25725310-01	4,4'-Sulfonyldiphenol (4,4'-Dihydroxydiphenylsulfone)
JXB85075-01	4,4,4-Trifluorobutanethioamide
433631-01	4,4',4''-Methanetriyltrianiline
sc-262190	4,4,4-Trifluorobutyraldehyde
sc-476168	4,4',4''-Trihydroxytriphenylmethane
sc-262193	4,4,4-Trifluorocrotononitrile
sc-284451A	4,4,4-Trifluorobutylamine