DL-4-Chlorophenylalaninol - ≥96% , CAS No.35373-63-8

CAS: 35373-63-8 Cat. No.: S169852 Molecular Weight: 185.65 EC Number: 252-533-5 PubChem CID: 548289

GRADE & PURITY ≥96%

Synonyms

A874621 | FT-0689437 | SY285307 | SY107318 | DL-4-Chlorphenylalaninol | N10806 | DL-4-Chlorophenylalaninol | DL-4-Chlorophenylalaninol, 96% | AKOS009156829 | p-chloro-d,l-phenylalaninol | AB88801 | EINECS 252-533-5 | (S)-b-Amino-4-chlorobenzenepropanol |

Storage

Store at 2-8°C,Protected from light

Shipped In

Wet ice

Specifications

Synonyms

A874621 | FT-0689437 | SY285307 | SY107318 | DL-4-Chlorphenylalaninol | N10806 | DL-4-Chlorophenylalaninol | DL-4-Chlorophenylalaninol, 96% | AKOS009156829 | p-chloro-d, l-phenylalaninol | AB88801 | EINECS 252-533-5 | (S)-b-Amino-4-chlorobenzenepropanol |

Specifications & Purity

≥96%

Storage

Store at 2-8°C, Protected from light

Shipped In

Wet ice

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

Purity

≥96%

Names and Identifiers

• Canonical Smiles: C1=CC(=CC=C1CC(CO)N)Cl
• IUPAC Name: 2-amino-3-(4-chlorophenyl)propan-1-ol
• InChIKey: RPHQMRWKOPBZQY-UHFFFAOYSA-N
• INCHI: 1S/C9H12ClNO/c10-8-3-1-7(2-4-8)5-9(11)6-12/h1-4,9,12H,5-6,11H2
• Isomeric SMILES: C1=CC(=CC=C1CC(CO)N)Cl
• PubChem CID: 548289
• Molecular Weight: 185.65

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Benzene and substituted derivatives
• Subclass: Phenethylamines
• Intermediate Tree Nodes: Not available
• Direct Parent: Amphetamines and derivatives
• Alternative Parents: Chlorobenzenes Aralkylamines Aryl chlorides 1,2-aminoalcohols Primary alcohols Organopnictogen compounds Organochlorides Monoalkylamines Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Amphetamine or derivatives - Aralkylamine - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - 1,2-aminoalcohol - Organic nitrogen compound - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Primary aliphatic amine - Primary alcohol - Primary amine - Hydrocarbon derivative - Organopnictogen compound - Organic oxygen compound - Amine - Alcohol - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as amphetamines and derivatives. These are organic compounds containing or derived from 1-phenylpropan-2-amine.
• 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

• Molecular Weight: 185.650 g/mol
• XLogP3: 1.300
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 185.061 Da
• Monoisotopic Mass: 185.061 Da
• Topological Polar Surface Area: 46.300 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 124.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 1
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1