Spermine dihydrate - ≥97% , CAS No.403982-64-9

CAS: 403982-64-9 Cat. No.: S134151 분자식: C₁₀H₂₆N₄·2H₂O 분자량: 238.37 Beilstein Registry Number: 7526933 EC 번호: 687-801-4

GRADE & PURITY ≥97%

Synonyms

Gerontine | Musculamine | N,N′-Bis(3-aminopropyl)-1,4-diaminobutane | Neuridine

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Specifications

동의어

Gerontine | Musculamine | N,N′-Bis(3-aminopropyl)-1,4-diaminobutane | Neuridine

사양 및 순도

≥97%

보관 조건

Store at 2-8°C,Argon charged

배송

Wet ice

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순수함

≥97%

이름과 식별자

• 정식 스마일: C(CCNCCCN)CNCCCN.O.O
• IUPAC Name: N,N'-bis(3-aminopropyl)butane-1,4-diamine;dihydrate
• InChIKey: MTNRSMVAYLLBAV-UHFFFAOYSA-N
• INCHI: 1S/C10H26N4.2H2O/c11-5-3-9-13-7-1-2-8-14-10-4-6-12;;/h13-14H,1-12H2;2*1H2
• 이성체 SMILES: C(CCNCCCN)CNCCCN.O.O
• WGK 독일: 3
• 분자량: 238.37
• Beilstein: 7526933

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic nitrogen compounds
    • 분류 Organonitrogen compounds
      • Subclass Amines
        • Level5 Secondary amines
          • Level6 Dialkylamines

• Kingdom: Organic compounds
• Superclass: Organic nitrogen compounds
• 분류: Organonitrogen compounds
• Subclass: Amines
• Intermediate Tree Nodes: Secondary amines
• Direct Parent: Dialkylamines
• Alternative Parents: Organic oxides Monoalkylamines Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Secondary aliphatic amine - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Primary amine - Primary aliphatic amine - Aliphatic acyclic compound
• 설명: This compound belongs to the class of organic compounds known as dialkylamines. These are organic compounds containing a dialkylamine group, characterized by two alkyl groups bonded to the amino nitrogen.
• 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: Air and moisture sensitive
• 분자량: 238.370 g/mol
• Hydrogen Bond Donor Count: 6
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 11
• Exact Mass: 238.237 Da
• Monoisotopic Mass: 238.237 Da
• Topological Polar Surface Area: 78.100 Ų
• Heavy Atom Count: 16
• Formal Charge: 0
• Complexity: 86.100
• 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: 3

XLogP3