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N-(1-ADAMANTYL)UREA , CAS No.13072-69-0

19 Citations

COA

Cas Number: 13072-69-0
Molecular Weight: 194.279
PubChem CID: 64166

In stock

Item Number

N166904

Grouped product items
SKU	Size	Availability	Price	Qty
N166904-10mg	10mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$327.90

Basic Description

Synonyms	13072-69-0 \| N-(1-Adamantyl)urea \| 1-Adamantylurea \| 1-(Adamantan-1-yl)urea \| N-1-adamantylurea \| Adamantan-1-yl-urea \| Urea, tricyclo(3.3.1.1(sup 3,7))dec-1-yl- \| (ADAMANTAN-1-YL)UREA \| MFCD00074734 \| 1-(1-Adamantyl)urea \| Urea, (1-adamantyl)- \| EINECS 235-965-9 \| NSC 114904 \| ad
Storage Temp	Room temperature
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organic acids and derivatives
  - Class Organic carbonic acids and derivatives
    - Subclass Ureas

Kingdom	Organic compounds
Superclass	Organic acids and derivatives
Class	Organic carbonic acids and derivatives
Subclass	Ureas
Intermediate Tree Nodes	Not available
Direct Parent	Ureas
Alternative Parents	Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework	Aliphatic homopolycyclic compounds
Substituents	Urea - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Carbonyl group - Aliphatic homopolycyclic compound
Description	This compound belongs to the class of organic compounds known as ureas. These are compounds containing two amine groups joined by a carbonyl (C=O) functional group.
External Descriptors	Not available
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61. DOI: 10.1186/s13321-016-0174-y

Names and Identifiers

IUPAC Name	1-adamantylurea
INCHI	InChI=1S/C11H18N2O/c12-10(14)13-11-4-7-1-8(5-11)3-9(2-7)6-11/h7-9H,1-6H2,(H3,12,13,14)
InChIKey	QYYHPAUOLCHORH-UHFFFAOYSA-N
Smiles	C1C2CC3CC1CC(C2)(C3)NC(=O)N
Isomeric SMILES	C1C2CC3CC1CC(C2)(C3)NC(=O)N
Molecular Weight	194.279
Reaxy-Rn	2369043
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2369043&ln=

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

C of A & Other Certificates(BSE/TSE, COO):

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	194.270 g/mol
XLogP3	1.600
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	1
Exact Mass	194.142 Da
Monoisotopic Mass	194.142 Da
Topological Polar Surface Area	55.100 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	233.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
The total count of all stereochemical bonds	0
Covalently-Bonded Unit Count	1

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