2-(4-Bromophenyl)propan-2-amine - ≥98% , CAS No.17797-12-5

CAS: 17797-12-5 Cat. No.: B182179 Formula: C9H12BrN.ClH Peso molecolare: 250.6 Numero EC: 960-328-3

GRADE & PURITY ≥98%

Synonyms

2-(4-bromophenyl)propan-2-amine|17797-12-5|1-(4-BROMOPHENYL)-1-METHYLETHYLAMINE|4-Bromo-alpha,alpha-dimethylbenzylamine|1-(4-bromo-phenyl)-1-methyl-ethylamine|MFCD06797600|Benzenemethanamine, 4-bromo-alpha,alpha-dimethyl-|1-(4-Bromophenyl)-1-methylethylam

Storage

Room temperature

Shipped In

Normal

Specifications

Sinonimi

2-(4-bromophenyl)propan-2-amine | 17797-12-5 | 1-(4-BROMOPHENYL)-1-METHYLETHYLAMINE | 4-Bromo-alpha,alpha-dimethylbenzylamine | 1-(4-bromo-phenyl)-1-methyl-ethylamine | MFCD06797600 | Benzenemethanamine, 4-bromo-alpha,alpha-dimethyl- | 1-(4-Bromophenyl)-1-methylethylam

Specifiche e purezza

≥98%

Condizioni di conservazione di stoccaggio

Room temperature

Spedito in

Normal

Purezza

≥98%

Nomi e identificatori

Sorrisi canonici

CC(C)(C1=CC=C(C=C1)Br)N

IUPAC Name

2-(4-bromophenyl)propan-2-amine

InChIKey

IQKKTIWXHJDLFL-UHFFFAOYSA-N

INCHI

1S/C9H12BrN/c1-9(2,11)7-3-5-8(10)6-4-7/h3-6H,11H2,1-2H3

Isomeri SMILES

CC(C)(C1=CC=C(C=C1)Br)N

Peso molecolare

250.6

Reaxy-Rn

2638177

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2638177&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Classe Benzene and substituted derivatives
      • Subclass Phenylpropanes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Benzene and substituted derivatives
• Subclass: Phenylpropanes
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenylpropanes
• Alternative Parents: Bromobenzenes Aralkylamines Aryl bromides Organobromides Monoalkylamines Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Phenylpropane - Aralkylamine - Halobenzene - Bromobenzene - Aryl halide - Aryl bromide - Organic nitrogen compound - Hydrocarbon derivative - Primary amine - Organonitrogen compound - Organobromide - Organohalogen compound - Primary aliphatic amine - Amine - Aromatic homomonocyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as phenylpropanes. These are organic compounds containing a phenylpropane moiety.
• External Descriptors: Not available

Data sources

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

Proprietà chimiche e fisiche

• Peso molecolare: 214.100 g/mol
• XLogP3: 2.100
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 213.015 Da
• Monoisotopic Mass: 213.015 Da
• Topological Polar Surface Area: 26.000 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 126.000
• 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

Domande frequenti

What is the purity of this product?

This product is supplied at ≥98% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature.

How is this product shipped?

This product ships under standard ambient conditions. No temperature-controlled packaging is required.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 17797-12-5, the molecular formula is C9H12BrN.ClH, and the molecular weight is 250.6 g/mol. InChIKey IQKKTIWXHJDLFL-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.