Dibenzylamine - ≥98% , CAS No.103-49-1

CAS: 103-49-1 Cat. No.: D108479 분자식: C₁₄H₁₅N 분자량: 197.28 Beilstein Registry Number: 121035 EC 번호: 203-117-7

GRADE & PURITY ≥98%

Synonyms

NORADRENALINE TARTRATE IMPURITY F [EP IMPURITY] | Tox21_301089 | STK397784 | Accelerator DBA | Benzenemethanamine, N-(phenylmethyl)- | Dibenzylamine, Vetec(TM) reagent grade, 97% | 3G0YFX01C6 | HY-Y1067 | Oprea1_559431 | N-(phenylmethyl)benzenemethanamine

Storage

Room temperature

Shipped In

Normal

Specifications

동의어

NORADRENALINE TARTRATE IMPURITY F [EP IMPURITY] | Tox21_301089 | STK397784 | Accelerator DBA | Benzenemethanamine, N-(phenylmethyl)- | Dibenzylamine, Vetec(TM) reagent grade, 97% | 3G0YFX01C6 | HY-Y1067 | Oprea1_559431 | N-(phenylmethyl)benzenemethanamine

사양 및 순도

≥98%

보관 조건

Room temperature

배송

Normal

순수함

≥98%

이름과 식별자

Pubchem Sid

488180515

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488180515

정식 스마일

C1=CC=C(C=C1)CNCC2=CC=CC=C2

IUPAC Name

N-benzyl-1-phenylmethanamine

InChIKey

BWLUMTFWVZZZND-UHFFFAOYSA-N

INCHI

1S/C14H15N/c1-3-7-13(8-4-1)11-15-12-14-9-5-2-6-10-14/h1-10,15H,11-12H2

이성체 SMILES

C1=CC=C(C=C1)CNCC2=CC=CC=C2

WGK 독일

3

분자량

197.28

Beilstein

121035

Reaxy-Rn

909664

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=909664&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• 분류: Benzene and substituted derivatives
• Subclass: Phenylmethylamines
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenylmethylamines
• Alternative Parents: Benzylamines Aralkylamines Dialkylamines Organopnictogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Phenylmethylamine - Benzylamine - Aralkylamine - Secondary amine - Secondary aliphatic amine - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organonitrogen compound - Amine - Aromatic homomonocyclic compound
• 설명: 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

화학 및 물리적 특성

• 용해성: Insoluble in water; Soluble in Ether,Alcohol
• 감도: Air Sensitive
• 굴절률: 1.574
• 발화점(°F): 289.4 °F
• 발화점(°C): 143℃
• 끓는점(°C): 300°C
• 녹는점(°C): -26°C
• 분자량: 197.270 g/mol
• XLogP3: 2.700
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 4
• Exact Mass: 197.12 Da
• Monoisotopic Mass: 197.12 Da
• Topological Polar Surface Area: 12.000 Ų
• Heavy Atom Count: 15
• Formal Charge: 0
• Complexity: 137.000
• 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