sales@angenesci.com
Login | Register
logo
Structures Search
Home Other Building Blocks 1-Phenylheptane

1-Phenylheptane

CAS No.:
1078-71-3
Catalog Number:
AG009PHH
Molecular Formula:
C13H20
Molecular Weight:
176.2979
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
5g
98%(GC)
In Stock USA
United States
$57
- +
25g
98%(GC)
In Stock USA
United States
$215
- +
100g
98%(GC)
In Stock USA
United States
$523
- +
Product Description
Catalog Number:
AG009PHH
Chemical Name:
1-Phenylheptane
CAS Number:
1078-71-3
Molecular Formula:
C13H20
Molecular Weight:
176.2979
MDL Number:
MFCD00009545
IUPAC Name:
heptylbenzene
InChI:
InChI=1S/C13H20/c1-2-3-4-5-7-10-13-11-8-6-9-12-13/h6,8-9,11-12H,2-5,7,10H2,1H3
InChI Key:
LBNXAWYDQUGHGX-UHFFFAOYSA-N
SMILES:
CCCCCCCc1ccccc1
EC Number:
214-084-3
UNII:
12UC21C7SN
NSC Number:
97413
Properties
Complexity:
101  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
176.157g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
176.303g/mol
Monoisotopic Mass:
176.157g/mol
Rotatable Bond Count:
6  
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.1  
Literature
Title Journal
(4-Nitro-phenolato)(subphthalo-cyaninato)boron(III). Acta crystallographica. Section E, Structure reports online 20110101
Role of the medium on the C343 inter/intramolecular hydrogen bond interactions. An absorption, emission, and 1HNMR investigation of C343 in benzene/n-heptane mixtures. The journal of physical chemistry. A 20100715
A cut-off in ocular chemesthesis from vapors of homologous alkylbenzenes and 2-ketones as revealed by concentration-detection functions. Toxicology and applied pharmacology 20080801
Volatile components in dorsal gland secretions of the Chacoan peccary, Catagonus wagneri. Zeitschrift fur Naturforschung. C, Journal of biosciences 20080101
Chemical boundaries for detection of eye irritation in humans from homologous vapors. Toxicological sciences : an official journal of the Society of Toxicology 20060601
Syntheses and magnetic properties of Cu(II)(hfac)2 and Mn(II)(hfac)2 complexes of 4-pyridyl-substituted thioaminyl radicals. Dalton transactions (Cambridge, England : 2003) 20060221
Properties