2-(Boc-aminomethyl)phenylacetic acid - ≥97% , CAS No.40851-66-9

CAS: 40851-66-9 Cat. No.: B170212 Peso molecular: 265.3 Beilstein Registry Number: 1080470 Número EC: 637-014-7

GRADE & PURITY ≥97%

Synonyms

Boc-(2-aminomethylphenyl)acetic acid | EN300-112336 | BOC-2-AMINOMETHYL-PHENYLACETIC ACID | 2-(2-(((tert-Butoxycarbonyl)amino)methyl)phenyl)acetic acid | 2-(tert-butoxycarbonylaminomethyl)phenylacetic acid | DTXSID80373143 | 2-[2-({[(tert-butoxy)carbonyl]

Storage

Argon charged,Room temperature

Shipped In

Normal

Specifications

Sinónimos

Boc-(2-aminomethylphenyl)acetic acid | EN300-112336 | BOC-2-AMINOMETHYL-PHENYLACETIC ACID | 2-(2-(((tert-Butoxycarbonyl)amino)methyl)phenyl)acetic acid | 2-(tert-butoxycarbonylaminomethyl)phenylacetic acid | DTXSID80373143 | 2-[2-({[(tert-butoxy)carbonyl]

Especificaciones y pureza

≥97%

Condiciones de almacenamiento de almacenamiento

Argon charged, Room temperature

Enviado en

Normal

Pureza

≥97%

Nombres e identificadores

• Pubchem Sid: 504761421
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504761421
• Sonrisas canónicas: CC(C)(C)OC(=O)NCC1=CC=CC=C1CC(=O)O
• IUPAC Name: 2-[2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]phenyl]acetic acid
• InChIKey: CGPQRFCFBISLKF-UHFFFAOYSA-N
• INCHI: 1S/C14H19NO4/c1-14(2,3)19-13(18)15-9-11-7-5-4-6-10(11)8-12(16)17/h4-7H,8-9H2,1-3H3,(H,15,18)(H,16,17)
• Isómeros SMILES: CC(C)(C)OC(=O)NCC1=CC=CC=C1CC(=O)O
• WGK Alemania: 3
• Peso molecular: 265.3
• Beilstein: 1080470
• Reaxy-Rn: 1080474
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1080474&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Clase Benzene and substituted derivatives

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Benzene and substituted derivatives
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzene and substituted derivatives
• Alternative Parents: Carbamate esters Organic carbonic acids and derivatives Monocarboxylic acids and derivatives Carboxylic acids Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Monocyclic benzene moiety - Carbamic acid ester - Carbonic acid derivative - Monocarboxylic acid or derivatives - Carboxylic acid - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Carbonyl group - Aromatic homomonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as benzene and substituted derivatives. These are aromatic compounds containing one monocyclic ring system consisting of benzene.
• 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

Propiedades químicas y físicas

• Sensibilidad: Moisture sensitive.
• Peso molecular: 265.300 g/mol
• XLogP3: 1.900
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 6
• Exact Mass: 265.131 Da
• Monoisotopic Mass: 265.131 Da
• Topological Polar Surface Area: 75.600 Ų
• Heavy Atom Count: 19
• Formal Charge: 0
• Complexity: 322.000
• 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