N-Carbobenzoxy-1,12-diaminododecane Hydrochloride - ≥95% , CAS No.1051420-16-6

CAS: 1051420-16-6 Cat. No.: C164501 Molecular Weight: 370.96 EC Number: 834-169-4 PubChem CID: 131865264

GRADE & PURITY ≥95%

Synonyms

N-CARBOBENZOXY-1,12-DIAMINODODECANE HCL | Benzyl (12-aminododecyl)carbamate hydrochloride | BSB42016 | 1051420-16-6 | MFCD08272292 | T70044 | Z-NH-(CH2)12-NH2.HCl | n-carbobenzoxy-1,12-diaminododecane hydrochloride | n-carbobenzoxy-1,12-diaminododecanehyd

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Specifications

Synonyms

N-CARBOBENZOXY-1, 12-DIAMINODODECANE HCL | Benzyl (12-aminododecyl)carbamate hydrochloride | BSB42016 | 1051420-16-6 | MFCD08272292 | T70044 | Z-NH-(CH2)12-NH2.HCl | n-carbobenzoxy-1, 12-diaminododecane hydrochloride | n-carbobenzoxy-1, 12-diaminododecanehyd

Specifications & Purity

≥95%

Storage

Store at 2-8°C, Argon charged

Shipped In

Wet ice

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

Purity

≥95%

Names and Identifiers

• Canonical Smiles: C1=CC=C(C=C1)COC(=O)NCCCCCCCCCCCCN.Cl
• IUPAC Name: benzyl N-(12-aminododecyl)carbamate;hydrochloride
• InChIKey: YISCQBUBEASQMD-UHFFFAOYSA-N
• INCHI: 1S/C20H34N2O2.ClH/c21-16-12-7-5-3-1-2-4-6-8-13-17-22-20(23)24-18-19-14-10-9-11-15-19;/h9-11,14-15H,1-8,12-13,16-18,21H2,(H,22,23);1H
• Isomeric SMILES: C1=CC=C(C=C1)COC(=O)NCCCCCCCCCCCCN.Cl
• PubChem CID: 131865264
• Molecular Weight: 370.96

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Benzene and substituted derivatives
      • Subclass Benzyloxycarbonyls

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Benzene and substituted derivatives
• Subclass: Benzyloxycarbonyls
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzyloxycarbonyls
• Alternative Parents: Carbamate esters Organic carbonic acids and derivatives Organopnictogen compounds Organooxygen compounds Organic oxides Monoalkylamines Hydrochlorides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Benzyloxycarbonyl - Carbamic acid ester - Carbonic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Hydrochloride - Organooxygen compound - Organonitrogen compound - Primary aliphatic amine - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as benzyloxycarbonyls. These are organic compounds containing a carbonyl group substituted with a benzyloxyl 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 Methanol
• Sensitivity: Moisture sensitive
• Melt Point(°C): 175 °C
• Molecular Weight: 371.000 g/mol
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 15
• Exact Mass: 370.239 Da
• Monoisotopic Mass: 370.239 Da
• Topological Polar Surface Area: 64.400 Ų
• Heavy Atom Count: 25
• Formal Charge: 0
• Complexity: 291.000
• 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: 2

XLogP3

References

1. Jin Dan, Yang Xiaolong, Wei Ying.  (2022)  Preparation and enhancement microwave absorption properties of carbon fibers coated with CoNi alloy by solvothermal.  JOURNAL OF MATERIALS SCIENCE-MATERIALS IN ELECTRONICS,  33  (7): (4510-4522).  [PMID:] [10.1007/s10854-021-07641-4]