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4-(Boc-amino)benzoic acid - >98.0%(HPLC), high purity , CAS No.66493-39-8

COA

Grade & Purity:

≥98%(HPLC)

Cas Number: 66493-39-8
Molecular Weight: 237.25
Beilstein Registry Number: 2115614
MDL number: MFCD00037428
PubChem CID: 2755931
PubChem SID: 504761424

In stock

Item Number

N133546

Grouped product items
SKU	Size	Availability	Price
N133546-1g	1g	2	$9.90
N133546-5g	5g	1	$31.90
N133546-25g	25g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$99.90
N133546-100g	100g	1	$299.90

View related series

Chemical Biology (1255) Peptide chemistry (314)

Basic Description

Synonyms	EN300-14053 \| N-Boc-4-aminobenzoic acid \| 4-(tert-butoxycarbonyl)aminobenzoic acid \| A835476 \| 4-(n-boc amino)benzoic acid \| 4-tert-butoxycarbonylaminobenzoic acid \| 4-Tert-Butoxycarbonylamino-Benzoic Acid \| boc-4-aminobenzoic acid \| MFCD00037428 \| Z10450
Specifications & Purity	≥98%(HPLC)
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Benzenoids
  - Class Benzene and substituted derivatives
    - Subclass Phenylcarbamic acid esters

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Benzene and substituted derivatives
Subclass	Phenylcarbamic acid esters
Intermediate Tree Nodes	Not available
Direct Parent	Phenylcarbamic acid esters
Alternative Parents	Benzoic acids Benzoyl derivatives 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	Phenylcarbamic acid ester - Benzoic acid or derivatives - Benzoic acid - Benzoyl - Carbamic acid ester - Carbonic acid derivative - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Carbonyl group - Organopnictogen compound - Organic oxygen compound - Aromatic homomonocyclic compound
Description	This compound belongs to the class of organic compounds known as phenylcarbamic acid esters. These are ester derivatives of phenylcarbamic acids.
External Descriptors	Not available
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

Names and Identifiers

Pubchem Sid	504761424
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/504761424
IUPAC Name	4-[(2-methylpropan-2-yl)oxycarbonylamino]benzoic acid
INCHI	InChI=1S/C12H15NO4/c1-12(2,3)17-11(16)13-9-6-4-8(5-7-9)10(14)15/h4-7H,1-3H3,(H,13,16)(H,14,15)
InChIKey	ZJDBQMWMDZEONW-UHFFFAOYSA-N
Smiles	CC(C)(C)OC(=O)NC1=CC=C(C=C1)C(=O)O
Isomeric SMILES	CC(C)(C)OC(=O)NC1=CC=C(C=C1)C(=O)O
WGK Germany	3
Molecular Weight	237.25
Beilstein	2115614
Reaxy-Rn	2115614
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2115614&ln=

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

C of A & Other Certificates(BSE/TSE, COO):

Analytical Chart:

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8 results found

Lot Number	Certificate Type	Date	Item
H2408375	Certificate of Analysis	Jul 25, 2024	N133546
H2408376	Certificate of Analysis	Jul 25, 2024	N133546
H2408645	Certificate of Analysis	Jul 25, 2024	N133546
H2408646	Certificate of Analysis	Jul 25, 2024	N133546
H2408647	Certificate of Analysis	Jul 25, 2024	N133546
H2408373	Certificate of Analysis	Jul 25, 2024	N133546
H2408374	Certificate of Analysis	Jul 25, 2024	N133546
C1730035	Certificate of Analysis	Oct 17, 2022	N133546

Chemical and Physical Properties

Solubility	Soluble in Methanol
Melt Point(°C)	196 °C(dec.)
Molecular Weight	237.250 g/mol
XLogP3	2.700
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	4
Exact Mass	237.1 Da
Monoisotopic Mass	237.1 Da
Topological Polar Surface Area	75.600 Å²
Heavy Atom Count	17
Formal Charge	0
Complexity	287.000
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

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