3-Hydroxybenzylamine - ≥97% , CAS No.73604-31-6

CAS: 73604-31-6 Cat. No.: H407384 分子式: C₇H₉NO 分子量: 123.15 EC番号: 674-286-6

GRADE & PURITY ≥97%

Synonyms

3-Hydroxybenzylamine | 3-hydroxy-benzylamine | A837869 | 3-aminomethyl-phenol | SCHEMBL138953 | 3-Aminomethyl phenol | Phenol, 3-(aminomethyl)- | BRD-K63116520-001-01-2 | CHEBI:125604 | NoName_3499 | MFCD00798977 | DTXSID90902923 | SY005415 | 3-(aminometh

Storage

Store at 2-8°C,Protected from light,Argon charged

Shipped In

Wet ice

概要

Product Application:

3-Hydroxybenzylamine is used as pharmaceutical intermediate.

Specifications

同義語

3-Hydroxybenzylamine | 3-hydroxy-benzylamine | A837869 | 3-aminomethyl-phenol | SCHEMBL138953 | 3-Aminomethyl phenol | Phenol, 3-(aminomethyl)- | BRD-K63116520-001-01-2 | CHEBI:125604 | NoName_3499 | MFCD00798977 | DTXSID90902923 | SY005415 | 3-(aminometh

仕様と純度

≥97%

保管条件

Store at 2-8°C,Protected from light,Argon charged

入荷

Wet ice

この製品は冷冷この冷このこの製品の運送が必要です。地上およびその他の経済サービスは利用できません。

アクションタイプ

INHIBITOR

純度

≥97%

名前と識別子

パブケム・シド

528758654

カノニカル・スマイル

C1=CC(=CC(=C1)O)CN

IUPAC Name

3-(aminomethyl)phenol

InChIKey

JNZYADHPGVZMQK-UHFFFAOYSA-N

INCHI

1S/C7H9NO/c8-5-6-2-1-3-7(9)4-6/h1-4,9H,5,8H2

異性体SMILES

C1=CC(=CC(=C1)O)CN

分子量

123.15

Reaxy-Rn

2802320

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2802320&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • 分類 Benzene and substituted derivatives
      • Subclass Phenylmethylamines

• Kingdom: Organic compounds
• Superclass: Benzenoids
• 分類: Benzene and substituted derivatives
• Subclass: Phenylmethylamines
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenylmethylamines
• Alternative Parents: Benzylamines Aralkylamines 1-hydroxy-4-unsubstituted benzenoids 1-hydroxy-2-unsubstituted benzenoids Organopnictogen compounds Organooxygen compounds Monoalkylamines Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Benzylamine - Phenylmethylamine - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Aralkylamine - Amine - Hydrocarbon derivative - Primary amine - Organopnictogen compound - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Primary aliphatic amine - Organic nitrogen compound - Aromatic homomonocyclic compound
• 説明: This compound belongs to the class of organic compounds known as phenylmethylamines. These are compounds containing a phenylmethtylamine moiety, which consists of a phenyl group substituted by an methanamine.
• 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

作用メカニズム

化学的性質と物理的性質

• 溶解度: Soluble in water and ethanol.
• 感度: Light and moisture sensitive；Air sensitive
• 融点（°C）: 165-168
• 分子量: 123.150 g/mol
• XLogP3: 0.200
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 123.068 Da
• Monoisotopic Mass: 123.068 Da
• Topological Polar Surface Area: 46.300 Ų
• Heavy Atom Count: 9
• Formal Charge: 0
• Complexity: 85.000
• 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