4-Dimethylaminobenzylamine Dihydrochloride - ≥98% , CAS No.34403-52-6

CAS: 34403-52-6 Cat. No.: D136160 Molecular Weight: 223.14 EC Number: 626-002-7 PubChem CID: 2734633

GRADE & PURITY ≥98%

Synonyms

DTXSID70370409 | 4-(aminomethyl)-N,N-dimethylaniline dihydrochloride | 4-(aminomethyl)-N,N-dimethylanilinedihydrochloride | 4-(AMINOMETHYL)-N,N-DIMETHYLANILINE 2HCL | D1620 | NRZQHDOWSPJUQW-UHFFFAOYSA-N | MFCD00012862 | (4-aminomethylphenyl)-dimethylamine

Storage

Argon charged,Room temperature

Shipped In

Normal

Specifications

Synonyms

DTXSID70370409 | 4-(aminomethyl)-N, N-dimethylaniline dihydrochloride | 4-(aminomethyl)-N, N-dimethylanilinedihydrochloride | 4-(AMINOMETHYL)-N, N-DIMETHYLANILINE 2HCL | D1620 | NRZQHDOWSPJUQW-UHFFFAOYSA-N | MFCD00012862 | (4-aminomethylphenyl)-dimethylamine

Specifications & Purity

≥98%

Storage

Argon charged, Room temperature

Shipped In

Normal

Purity

≥98%

Names and Identifiers

• Canonical Smiles: CN(C)C1=CC=C(C=C1)CN.Cl.Cl
• IUPAC Name: 4-(aminomethyl)-N,N-dimethylaniline;dihydrochloride
• InChIKey: NRZQHDOWSPJUQW-UHFFFAOYSA-N
• INCHI: 1S/C9H14N2.2ClH/c1-11(2)9-5-3-8(7-10)4-6-9;;/h3-6H,7,10H2,1-2H3;2*1H
• Isomeric SMILES: CN(C)C1=CC=C(C=C1)CN.Cl.Cl
• WGK Germany: 3
• PubChem CID: 2734633
• Molecular Weight: 223.14
• Reaxy-Rn: 3914033

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Benzene and substituted derivatives
      • Subclass Phenylmethylamines

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Benzene and substituted derivatives
• Subclass: Phenylmethylamines
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenylmethylamines
• Alternative Parents: Dialkylarylamines Benzylamines Aniline and substituted anilines Aralkylamines Organopnictogen compounds Monoalkylamines Hydrochlorides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Benzylamine - Phenylmethylamine - Tertiary aliphatic/aromatic amine - Aniline or substituted anilines - Dialkylarylamine - Aralkylamine - Tertiary amine - Amine - Hydrocarbon derivative - Primary amine - Organopnictogen compound - Organonitrogen compound - Primary aliphatic amine - Organic nitrogen compound - Hydrochloride - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as phenylmethylamines. These are compounds containing a phenylmethtylamine moiety, which consists of a phenyl group substituted by an methanamine.
• 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

Chemical and Physical Properties

• Sensitivity: Hygroscopic
• Melt Point(°C): 220-224°C
• Molecular Weight: 223.140 g/mol
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 222.069 Da
• Monoisotopic Mass: 222.069 Da
• Topological Polar Surface Area: 29.300 Ų
• Heavy Atom Count: 13
• Formal Charge: 0
• Complexity: 104.000
• 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: 3

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