3-Picolylamine - ≥99%(GC) , CAS No.3731-52-0

CAS: 3731-52-0 Cat. No.: P160053 분자식: C₆H₈N₂ 분자량: 108.14 Beilstein Registry Number: 108056 EC 번호: 223-091-0 PubChem CID: 31018

GRADE & PURITY ≥99%(GC)

Synonyms

1-(Pyridin-3-yl)methanamine | AB00752 | NSC 59706 | PICOLAMINE [WHO-DD] | Picolaminum [INN-Latin] | Z104474366 | AC-3071 | Picolamine [INN:DCF] | NCGC00166118-01 | pyridin-3-ylmethyl amine | HMS3264A22 | 3-picolyl amine | Picolamine | 1-Naphthol 2,3,4-Tri

Storage

Room temperature,Argon charged

Shipped In

Normal

Specifications

동의어

1-(Pyridin-3-yl)methanamine | AB00752 | NSC 59706 | PICOLAMINE [WHO-DD] | Picolaminum [INN-Latin] | Z104474366 | AC-3071 | Picolamine [INN:DCF] | NCGC00166118-01 | pyridin-3-ylmethyl amine | HMS3264A22 | 3-picolyl amine | Picolamine | 1-Naphthol 2,3,4-Tri

사양 및 순도

≥99%(GC)

보관 조건

Room temperature,Argon charged

배송

Normal

순수함

≥99%(GC)

이름과 식별자

• Pubchem Sid: 488183123
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488183123
• 정식 스마일: C1=CC(=CN=C1)CN
• IUPAC Name: pyridin-3-ylmethanamine
• InChIKey: HDOUGSFASVGDCS-UHFFFAOYSA-N
• INCHI: 1S/C6H8N2/c7-4-6-2-1-3-8-5-6/h1-3,5H,4,7H2
• 이성체 SMILES: C1=CC(=CN=C1)CN
• WGK 독일: 3
• PubChem CID: 31018
• UN 번호: 2735
• 포장 그룹: III
• 분자량: 108.14
• Beilstein: 108056
• Reaxy-Rn: 108056

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic nitrogen compounds
    • 분류 Organonitrogen compounds
      • Subclass Amines

• Kingdom: Organic compounds
• Superclass: Organic nitrogen compounds
• 분류: Organonitrogen compounds
• Subclass: Amines
• Intermediate Tree Nodes: Not available
• Direct Parent: Aralkylamines
• Alternative Parents: Pyridines and derivatives Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Monoalkylamines Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Aralkylamine - Pyridine - Heteroaromatic compound - Azacycle - Organoheterocyclic compound - Organopnictogen compound - Hydrocarbon derivative - Primary amine - Primary aliphatic amine - Aromatic heteromonocyclic compound
• 설명: This compound belongs to the class of organic compounds known as aralkylamines. These are alkylamines in which the alkyl group is substituted at one carbon atom by an aromatic hydrocarbyl 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

작용 메커니즘

화학 및 물리적 특성

• 용해성: Fully miscible in water. Soluble in chloroform, ethyl acetate and methanol.
• 감도: air sensitive
• 굴절률: 1.55
• 발화점(°F): 226.4 °F
• 발화점(°C): 108 °C
• 끓는점(°C): 73-74°C/1mmHg
• 녹는점(°C): -21 °C
• 분자량: 108.140 g/mol
• XLogP3: -0.300
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 108.069 Da
• Monoisotopic Mass: 108.069 Da
• Topological Polar Surface Area: 38.900 Ų
• Heavy Atom Count: 8
• Formal Charge: 0
• Complexity: 63.500
• 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