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

CAS: 73604-31-6 Cat. No.: H407384 분자식: C₇H₉NO 분자량: 123.15 EC 번호: 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

개요

Product Application:

3-Hydroxybenzylamine is used as pharmaceutical intermediate.

Specifications

동의어

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

사양 및 순도

≥97%

보관 조건

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

배송

Wet ice

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작업 유형

INHIBITOR

순수함

≥97%

이름과 식별자

• Pubchem Sid: 528758654
• 정식 스마일: 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
• 이성체 SMILES: C1=CC(=CC(=C1)O)CN
• 분자량: 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
    • 분류 Benzene and substituted derivatives
      • Subclass Phenylmethylamines

• Kingdom: Organic compounds
• Superclass: Benzenoids
• 분류: 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
• 설명: 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

작용 메커니즘

화학 및 물리적 특성

• 용해성: Soluble in water and ethanol.
• 감도: Light and moisture sensitive；Air sensitive
• 녹는점(°C): 165-168
• 분자량: 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

참고 문헌

1. Hongyu Chen, Jiayi Guo, Xinrui Sun, Peipei Tian, Wenping Zhu, Manman Sun, Zengchen Liu, Qingfeng Li, Yahong Chen.  (2026)  Analyte-guided precise regulation of gold nanoflower etching mechanism for enhanced dopamine selectivity via bisphenol-triggered Schiff base/Michael addition and intramolecular hydrogen bond synergy.  TALANTA,      [PMID:41558403] [10.1016/j.talanta.2026.129412]