(4-(4-Methylpiperazin-1-yl)phenyl)methanol - ≥97% , CAS No.342405-34-9

CAS: 342405-34-9 Cat. No.: M303485 Molecular Weight: 206.29 EC Number: 809-122-6

GRADE & PURITY ≥97%

Synonyms

BP-10790 | [4-(4-methylpiperazino)phenyl]methanol, AldrichCPR | J-501319 | (4-(4-Methylpiperazin-1-yl)phenyl)methanol | SCHEMBL347427 | SY003204 | AD-0335 | AKOS005071465 | MFCD02682064 | 4-(4-N-Methylpiperazinyl)benzyl alcohol;4-(4-Methylpiperazino)benzy

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Synonyms

BP-10790 | [4-(4-methylpiperazino)phenyl]methanol, AldrichCPR | J-501319 | (4-(4-Methylpiperazin-1-yl)phenyl)methanol | SCHEMBL347427 | SY003204 | AD-0335 | AKOS005071465 | MFCD02682064 | 4-(4-N-Methylpiperazinyl)benzyl alcohol;4-(4-Methylpiperazino)benzy

Specifications & Purity

≥97%

Storage

Store at 2-8°C

Shipped In

Wet ice

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

Purity

≥97%

Names and Identifiers

• Pubchem Sid: 504761945
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504761945
• Canonical Smiles: CN1CCN(CC1)C2=CC=C(C=C2)CO
• IUPAC Name: [4-(4-methylpiperazin-1-yl)phenyl]methanol
• InChIKey: ZCAGHLIBKHFJDU-UHFFFAOYSA-N
• INCHI: 1S/C12H18N2O/c1-13-6-8-14(9-7-13)12-4-2-11(10-15)3-5-12/h2-5,15H,6-10H2,1H3
• Isomeric SMILES: CN1CCN(CC1)C2=CC=C(C=C2)CO
• Molecular Weight: 206.29
• Reaxy-Rn: 18444250
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=18444250&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Diazinanes
      • Subclass Piperazines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Diazinanes
• Subclass: Piperazines
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenylpiperazines
• Alternative Parents: N-arylpiperazines Dialkylarylamines Benzyl alcohols Aniline and substituted anilines N-methylpiperazines Trialkylamines Azacyclic compounds Primary alcohols Organopnictogen compounds Hydrocarbon derivatives Aromatic alcohols
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Phenylpiperazine - N-arylpiperazine - Benzyl alcohol - Tertiary aliphatic/aromatic amine - Aniline or substituted anilines - Dialkylarylamine - N-alkylpiperazine - N-methylpiperazine - Monocyclic benzene moiety - Benzenoid - Tertiary amine - Tertiary aliphatic amine - Azacycle - Alcohol - Aromatic alcohol - Hydrocarbon derivative - Primary alcohol - Organopnictogen compound - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Organic nitrogen compound - Amine - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as phenylpiperazines. These are compounds containing a phenylpiperazine skeleton, which consists of a piperazine bound to a phenyl 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

• Boil Point(°C): 363.7°C
• Melt Point(°C): 115-117°
• Molecular Weight: 206.280 g/mol
• XLogP3: 1.000
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 206.142 Da
• Monoisotopic Mass: 206.142 Da
• Topological Polar Surface Area: 26.700 Ų
• Heavy Atom Count: 15
• Formal Charge: 0
• Complexity: 182.000
• 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