U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ACHIRAL
Molecular Formula C13H20
Molecular Weight 176.2979
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of HEPTYLBENZENE

SMILES

CCCCCCCC1=CC=CC=C1

InChI

InChIKey=LBNXAWYDQUGHGX-UHFFFAOYSA-N
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

HIDE SMILES / InChI

Molecular Formula C13H20
Molecular Weight 176.2979
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

PubMed

PubMed

TitleDatePubMed
Syntheses and magnetic properties of Cu(II)(hfac)2 and Mn(II)(hfac)2 complexes of 4-pyridyl-substituted thioaminyl radicals.
2006 Feb 21
Chemical boundaries for detection of eye irritation in humans from homologous vapors.
2006 Jun
A cut-off in ocular chemesthesis from vapors of homologous alkylbenzenes and 2-ketones as revealed by concentration-detection functions.
2008 Aug 1
Volatile components in dorsal gland secretions of the Chacoan peccary, Catagonus wagneri.
2008 Sep-Oct
(4-Nitro-phenolato)(subphthalo-cyaninato)boron(III).
2010 Dec 8
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.
2010 Jul 15
Patents

Patents

Substance Class Chemical
Created
by admin
on Fri Dec 15 19:44:09 GMT 2023
Edited
by admin
on Fri Dec 15 19:44:09 GMT 2023
Record UNII
12UC21C7SN
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
HEPTYLBENZENE
Systematic Name English
BENZENE, HEPTYL-
Systematic Name English
1-HEPTYLBENZENE
Systematic Name English
PHENYLHEPTANE
Systematic Name English
N-HEPTYLBENZENE
Common Name English
NSC-97413
Code English
HEPTANE, 1-PHENYL-
Systematic Name English
Code System Code Type Description
FDA UNII
12UC21C7SN
Created by admin on Fri Dec 15 19:44:09 GMT 2023 , Edited by admin on Fri Dec 15 19:44:09 GMT 2023
PRIMARY
PUBCHEM
14115
Created by admin on Fri Dec 15 19:44:09 GMT 2023 , Edited by admin on Fri Dec 15 19:44:09 GMT 2023
PRIMARY
ECHA (EC/EINECS)
214-084-3
Created by admin on Fri Dec 15 19:44:09 GMT 2023 , Edited by admin on Fri Dec 15 19:44:09 GMT 2023
PRIMARY
NSC
97413
Created by admin on Fri Dec 15 19:44:09 GMT 2023 , Edited by admin on Fri Dec 15 19:44:09 GMT 2023
PRIMARY
EPA CompTox
DTXSID3061477
Created by admin on Fri Dec 15 19:44:09 GMT 2023 , Edited by admin on Fri Dec 15 19:44:09 GMT 2023
PRIMARY
CAS
1078-71-3
Created by admin on Fri Dec 15 19:44:09 GMT 2023 , Edited by admin on Fri Dec 15 19:44:09 GMT 2023
PRIMARY