ω-헵탈락탐 - ≥97%(GC) , CAS No.673-66-5

CAS: 673-66-5 Cat. No.: O159930 분자식: C₇H₁₃NO 분자량: 127.19 Beilstein Registry Number: 108987 EC 번호: 211-611-9

GRADE & PURITY ≥97%(GC)

Synonyms

cis-Octahydro-2-azocinone | NIOSH/CN5150000 | Suberonisoxim [German] | MFCD00003271 | BRN 0108987 | omega-Heptalactam | A25538 | EINECS 211-611-9 | H0525 | .omega.-Enantholactam | 2(1H)-AZOCINONE, HEXAHYDRO- | 2H-Azocin-2-one, hexahydro- | SCHEMBL454341 |

Storage

Argon charged,Room temperature

Shipped In

보통

Specifications

동의어

cis-Octahydro-2-azocinone | NIOSH/CN5150000 | Suberonisoxim [German] | MFCD00003271 | BRN 0108987 | omega-Heptalactam | A25538 | EINECS 211-611-9 | H0525 | .omega.-Enantholactam | 2(1H)-AZOCINONE, HEXAHYDRO- | 2H-Azocin-2-one, hexahydro- | SCHEMBL454341 |

사양 및 순도

≥97%(GC)

보관 조건

Argon charged,Room temperature

배송

보통

순수함

≥97%(GC)

이름과 식별자

Pubchem Sid

508811331

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/508811331

정식 스마일

C1CCCNC(=O)CC1

IUPAC Name

azocan-2-one

InChIKey

CJYXCQLOZNIMFP-UHFFFAOYSA-N

INCHI

1S/C7H13NO/c9-7-5-3-1-2-4-6-8-7/h1-6H2,(H,8,9)

이성체 SMILES

C1CCCNC(=O)CC1

WGK 독일

3

RTECS

CN4810000

분자량

127.19

Beilstein

108987

Reaxy-Rn

108987

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=108987&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • 분류 Lactams

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• 분류: Lactams
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Lactams
• Alternative Parents: Secondary carboxylic acid amides Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: Secondary carboxylic acid amide - Lactam - Carboxamide group - Azacycle - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Carbonyl group - Aliphatic heteromonocyclic compound
• 설명: This compound belongs to the class of organic compounds known as lactams. These are compounds containing a lactam ring, which is a cyclic amide of amino carboxylic acids, having a 1-azacycloalkan-2-one structure (or an analogue having unsaturation or heteroatoms replacing one or more carbon atoms of the ring).
• 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

• 감도: Moisture sensitive
• 발화점(°F): 235.4 °F
• 발화점(°C): 113 °C
• 끓는점(°C): 148-150 °C/10 mmHg
• 녹는점(°C): 34-38°C
• 분자량: 127.180 g/mol
• XLogP3: 0.200
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 127.1 Da
• Monoisotopic Mass: 127.1 Da
• Topological Polar Surface Area: 29.100 Ų
• Heavy Atom Count: 9
• Formal Charge: 0
• Complexity: 101.000
• 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