n-Heptylamine - ≥98% , CAS No.111-68-2

CAS: 111-68-2 Cat. No.: H113175 Molecular Weight: 115.22 Beilstein Registry Number: 1731688 EC Number: 203-895-8

GRADE & PURITY ≥98%

Synonyms

1-Heptanamine | W-109414 | EINECS 203-895-8 | F17097 | heptyl amine | Tox21_201004 | A802395 | 1-Aminoheptane | 1-Heptylamine | AS-47952 | NSC2074 | NSC-2074 | FT-0607345 | MFCD00008244 | CAS-111-68-2 | AKOS009075808 | CHEBI:182628 | Heptanamine | NSC 207

Storage

Room temperature,Argon charged

Shipped In

FedEx DG Service

Specifications

Synonyms

1-Heptanamine | W-109414 | EINECS 203-895-8 | F17097 | heptyl amine | Tox21_201004 | A802395 | 1-Aminoheptane | 1-Heptylamine | AS-47952 | NSC2074 | NSC-2074 | FT-0607345 | MFCD00008244 | CAS-111-68-2 | AKOS009075808 | CHEBI:182628 | Heptanamine | NSC 207

Specifications & Purity

≥98%

Storage

Room temperature, Argon charged

Shipped In

FedEx DG Service

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥98%

Names and Identifiers

• Pubchem Sid: 504751593
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504751593
• Canonical Smiles: CCCCCCCN
• IUPAC Name: heptan-1-amine
• InChIKey: WJYIASZWHGOTOU-UHFFFAOYSA-N
• INCHI: 1S/C7H17N/c1-2-3-4-5-6-7-8/h2-8H2,1H3
• Isomeric SMILES: CCCCCCCN
• WGK Germany: 1
• RTECS: MK0600000
• UN Number: 2734
• Packing Group: II
• Molecular Weight: 115.22
• Beilstein: 1731688
• Reaxy-Rn: 1731688
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1731688&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic nitrogen compounds
    • Class Organonitrogen compounds
      • Subclass Amines
        • Level5 Primary amines
          • Level6 Monoalkylamines

• Kingdom: Organic compounds
• Superclass: Organic nitrogen compounds
• Class: Organonitrogen compounds
• Subclass: Amines
• Intermediate Tree Nodes: Primary amines
• Direct Parent: Monoalkylamines
• Alternative Parents: Organopnictogen compounds Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Organopnictogen compound - Hydrocarbon derivative - Primary aliphatic amine - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as monoalkylamines. These are organic compounds containing an primary aliphatic amine 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

Chemical and Physical Properties

• Solubility: Soluble in water 6791 mg/L @ 25°C.
• Sensitivity: Air Sensitive
• Refractive Index: 1.424
• Flash Point(°F): 111.2 °F
• Flash Point(°C): 44 °C
• Boil Point(°C): 154-156°C
• Molecular Weight: 115.220 g/mol
• XLogP3: 2.600
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 5
• Exact Mass: 115.136 Da
• Monoisotopic Mass: 115.136 Da
• Topological Polar Surface Area: 26.000 Ų
• Heavy Atom Count: 8
• Formal Charge: 0
• Complexity: 35.400
• 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

References

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6. Zhizhu Yue, Yonghe Yu, Tianjun Hu, Ying Wang, Lulu Cao, Yanxia Zhang, Yuhong Chang, Linjuan Pei, Jianfeng Jia.  (2024)  One-step solvothermal formation of Cu - Doped Cu2WO4(OH)2 nanocatalysts for efficient photocatalytic amine oxidation coupling.  Materials Today Chemistry,      [PMID:] [10.1016/j.mtchem.2024.101932]

7. Shuqin Wang, Kai Wang, Wangbei Cao, Liang Song, Shifen Li, Zihe Zhai, Liyin Shen, Yang Zhu, Wenxing Liu, Changyou Gao.  (2024)  Treg-enhancing and immunomodulating microgel scaffold promotes cell ingrowth and heart function recovery post-acute myocardial infarction in vivo.  CHEMICAL ENGINEERING JOURNAL,      [PMID:] [10.1016/j.cej.2024.154933]

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9. Zhen-Ya Liu, Wei Zhao, Li-Ming Chen, Fei Ding, An-An Liu, Dai-Wen Pang.  (2025)  Regulation of Monomer Allocation and Surface Passivation via Dual Ligands for the Synthesis of NIR-IIc Ag2Se Quantum Dots.  ACS Applied Materials & Interfaces,      [PMID:41103081] [10.1021/acsami.5c16269]