(2S,4R)-4-(3-Cyanobenzyl)pyrrolidine-2-carboxylic acid hydrochloride - ≥98% , CAS No.1049744-07-1

CAS: 1049744-07-1 Cat. No.: S1317703 Peso molecular: 266.72
Disponible para pedir
GRADE & PURITY ≥98%
Storage
Room temperature
 ·  off list, applied to all prices below.
Size
Estado
Price
Qty
1g
S1317703-1g
8-12 wks(?) Production requires sourcing of materials. We appreciate your patience and understanding.
1.166,90US$
5g
S1317703-5g
8-12 wks(?) Production requires sourcing of materials. We appreciate your patience and understanding.
2.663,90US$
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Why this grade

≥98% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

🌡

Storage & shipping

Room temperature Ships Check lot-specific COA for exact specifications.

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Quality documents

SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.

📚

Literature proof

Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

Specifications

Especificaciones y pureza
≥98%
Condiciones de almacenamiento de almacenamiento
Room temperature
Pureza
≥98%
Nombres e identificadores
Sonrisas canónicasC1[C@H](CN[C@@H]1C(=O)O)CC2=CC(=CC=C2)C#N.Cl
IUPAC Name(2S,4R)-4-[(3-cyanophenyl)methyl]pyrrolidine-2-carboxylic acid;hydrochloride
InChIKeyFSNJEOOSDZKTSR-LYCTWNKOSA-N
INCHI1S/C13H14N2O2.ClH/c14-7-10-3-1-2-9(4-10)5-11-6-12(13(16)17)15-8-11;/h1-4,11-12,15H,5-6,8H2,(H,16,17);1H/t11-,12+;/m1./s1
Peso molecular 266.72

Documentation

📋 Safety Data Sheet (SDS)

Comprehensive hazard, handling, storage, and regulatory compliance document.

Download SDS →

✅ Certificate of Analysis (COA)

Lot-specific quality data. Enter your lot number to retrieve the exact COA.

Look up COA →

📊 Datasheet

Quick-reference summary of product specifications and applications.

View datasheet →

🔬 Specification Sheet

Full quality attributes and acceptance criteria for this grade.

View spec sheet →

Advanced Data

Taxonomic Classification

Taxonomy Tree

KingdomOrganic compounds
SuperclassOrganic acids and derivatives
ClaseCarboxylic acids and derivatives
SubclassAmino acids, peptides, and analogues
Intermediate Tree Nodes Amino acids and derivatives - Alpha amino acids and derivatives
Direct ParentProline and derivatives
Alternative Parents L-alpha-amino acids  Pyrrolidine carboxylic acids  Benzonitriles  Aralkylamines  Amino acids  Nitriles  Monocarboxylic acids and derivatives  Dialkylamines  Carboxylic acids  Azacyclic compounds  Organopnictogen compounds  Organic oxides  Hydrochlorides  Hydrocarbon derivatives  Carbonyl compounds  
Molecular FrameworkAromatic heteromonocyclic compounds
Substituents Proline or derivatives - Alpha-amino acid - L-alpha-amino acid - Benzonitrile - Pyrrolidine carboxylic acid - Pyrrolidine carboxylic acid or derivatives - Aralkylamine - Monocyclic benzene moiety - Benzenoid - Pyrrolidine - Amino acid - Azacycle - Organoheterocyclic compound - Carboxylic acid - Secondary amine - Secondary aliphatic amine - Monocarboxylic acid or derivatives - Carbonitrile - Nitrile - Hydrochloride - Organonitrogen compound - Organooxygen compound - Organic oxide - Organic nitrogen compound - Hydrocarbon derivative - Carbonyl group - Organopnictogen compound - Organic oxygen compound - Amine - Aromatic heteromonocyclic compound
DescripciónThis compound belongs to the class of organic compounds known as proline and derivatives. These are compounds containing proline or a derivative thereof resulting from reaction of proline at the amino group or the carboxy group, or from the replacement of any hydrogen of glycine by a heteroatom.
External Descriptors Not available
Estructura 3D
Modelo de Estructura Química Interactiva





Certificados (CoA, COO, BSE/TSE y tabla de análisis)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:
Propiedades químicas y físicas
Peso molecular266.720 g/mol
XLogP3
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Exact Mass266.082 Da
Monoisotopic Mass266.082 Da
Topological Polar Surface Area73.100 Ų
Heavy Atom Count18
Formal Charge0
Complexity334.000
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
The total count of all stereochemical bonds0
Covalently-Bonded Unit Count2
Calculadoras de soluciones
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