N-프로필아닐린 - ≥98%(GC) , CAS No.622-80-0

CAS: 622-80-0 Cat. No.: N159067 분자식: C₉H₁₃N 분자량: 135.21 Beilstein Registry Number: 12(3)264 EC 번호: 210-754-4

GRADE & PURITY ≥98%(GC)

Synonyms

InChI=1/C9H13N/c1-2-8-10-9-6-4-3-5-7-9/h3-7,10H,2,8H2,1H | FT-0715058 | N-PROPYLANILINE | N-propyl-aniline | Aniline, N-n-propyl- | Benzenamine, N-propyl- | STL016111 | BBL012082 | N-propyl aniline | AKOS025396920 | EINECS 210-754-4 | N-(n-Propyl)aniline

Storage

Room temperature

Shipped In

보통

Specifications

동의어

InChI=1/C9H13N/c1-2-8-10-9-6-4-3-5-7-9/h3-7,10H,2,8H2,1H | FT-0715058 | N-PROPYLANILINE | N-propyl-aniline | Aniline, N-n-propyl- | Benzenamine, N-propyl- | STL016111 | BBL012082 | N-propyl aniline | AKOS025396920 | EINECS 210-754-4 | N-(n-Propyl)aniline

사양 및 순도

≥98%(GC)

보관 조건

Room temperature

배송

보통

순수함

≥98%(GC)

이름과 식별자

Pubchem Sid

528765968

정식 스마일

CCCNC1=CC=CC=C1

IUPAC Name

N-propylaniline

InChIKey

CDZOGLJOFWFVOZ-UHFFFAOYSA-N

INCHI

1S/C9H13N/c1-2-8-10-9-6-4-3-5-7-9/h3-7,10H,2,8H2,1H3

이성체 SMILES

CCCNC1=CC=CC=C1

분자량

135.21

Beilstein

12(3)264

Reaxy-Rn

2205525

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2205525&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic nitrogen compounds
    • 분류 Organonitrogen compounds
      • Subclass Amines
        • Level5 Aralkylamines
          • Level6 Phenylalkylamines

• Kingdom: Organic compounds
• Superclass: Organic nitrogen compounds
• 분류: Organonitrogen compounds
• Subclass: Amines
• Intermediate Tree Nodes: Aralkylamines
• Direct Parent: Phenylalkylamines
• Alternative Parents: Aniline and substituted anilines Secondary alkylarylamines Organopnictogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Phenylalkylamine - Aniline or substituted anilines - Secondary aliphatic/aromatic amine - Benzenoid - Monocyclic benzene moiety - Secondary amine - Organopnictogen compound - Hydrocarbon derivative - Aromatic homomonocyclic compound
• 설명: 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

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

• 감도: Light Sensitive
• 굴절률: 1.54
• 발화점(°F): 91°C
• 발화점(°C): 91°C
• 끓는점(°C): 220°C
• 분자량: 135.210 g/mol
• XLogP3: 2.500
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 3
• Exact Mass: 135.105 Da
• Monoisotopic Mass: 135.105 Da
• Topological Polar Surface Area: 12.000 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 74.800
• 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