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1-N-Butylbenzene-1,2-diamine - 97%, high purity , CAS No.51592-02-0

COA

Grade & Purity:

≥97%

Cas Number: 51592-02-0
Molecular Weight: 164.3
PubChem CID: 11228985

In stock

Item Number

N184900

Grouped product items
SKU	Size	Availability	Price	Qty
N184900-5g	5g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$685.90

Basic Description

Synonyms	N1-Butylbenzene-1,2-diamine \| 51592-02-0 \| 1-N-Butylbenzene-1,2-diamine \| 2-N-butylbenzene-1,2-diamine \| Butylphenylendiamin \| N-butyl-2-aminoaniline \| SCHEMBL659537 \| DTXSID80459370 \| NBFBBBHLERFOND-UHFFFAOYSA-N \| BCA59202 \| MFCD08689819 \| AKOS009237754 \| SB75950 \| BS-28785 \| CS-04
Specifications & Purity	≥97%
Storage Temp	Room temperature
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organic nitrogen compounds
  - Class Organonitrogen compounds
    - Subclass Amines
      - Level5 Aralkylamines
        Level6 Phenylalkylamines

Kingdom	Organic compounds
Superclass	Organic nitrogen compounds
Class	Organonitrogen compounds
Subclass	Amines
Intermediate Tree Nodes	Aralkylamines
Direct Parent	Phenylalkylamines
Alternative Parents	Aniline and substituted anilines Secondary alkylarylamines Primary amines Hydrocarbon derivatives
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Phenylalkylamine - Aniline or substituted anilines - Secondary aliphatic/aromatic amine - Benzenoid - Monocyclic benzene moiety - Secondary amine - Hydrocarbon derivative - Primary amine - Aromatic homomonocyclic compound
Description	This compound belongs to the class of organic compounds known as phenylalkylamines. These are organic amines where the amine group is secondary and linked on one end to a phenyl group and on the other end, to an alkyl 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	2-N-butylbenzene-1,2-diamine
INCHI	InChI=1S/C10H16N2/c1-2-3-8-12-10-7-5-4-6-9(10)11/h4-7,12H,2-3,8,11H2,1H3
InChIKey	NBFBBBHLERFOND-UHFFFAOYSA-N
Smiles	CCCCNC1=CC=CC=C1N
Isomeric SMILES	CCCCNC1=CC=CC=C1N
Molecular Weight	164.3
Reaxy-Rn	2803437
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2803437&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	164.250 g/mol
XLogP3	2.200
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	4
Exact Mass	164.131 Da
Monoisotopic Mass	164.131 Da
Topological Polar Surface Area	38.100 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	114.000
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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