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Benzyl 4-amino-3-fluoropiperidine-1-carboxylate - ≥95% , CAS No.1228631-13-7

Benzyl 4-amino-3-fluoropiperidine-1-carboxylate - ≥95% , CAS No.1228631-13-7

Name: Benzyl 4-amino-3-fluoropiperidine-1-carboxylate - ≥95% , CAS No.1228631-13-7
Brand: Aladdin Scientific
SKU: B1355888
Availability: InStock

CAS: 1228631-13-7 Cat. No.: B1355888 Molecular Weight: 252.29 PubChem CID: 49761211

COA

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AVAILABLE TO ORDER

GRADE & PURITY ≥95%

Storage

Room temperature

Shipped In

Normal

Specifications Names and Identifiers Documentation Advanced Data Taxonomic Classification 3D Structure Certificates（CoA,COO,BSE/TSE and Analysis Chart) Chemical and Physical Properties Solution Calculators Reviews

🧪

Why this grade

≥95% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

🌡

Storage & shipping

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

📋

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

Specifications & Purity

≥95%

Storage

Room temperature

Shipped In

Normal

Purity

≥95%

Names and Identifiers

Canonical Smiles	C1CN(CC(C1N)F)C(=O)OCC2=CC=CC=C2
IUPAC Name	benzyl 4-amino-3-fluoropiperidine-1-carboxylate
InChIKey	SYVUWEZGXXHYPH-UHFFFAOYSA-N
INCHI	1S/C13H17FN2O2/c14-11-8-16(7-6-12(11)15)13(17)18-9-10-4-2-1-3-5-10/h1-5,11-12H,6-9,15H2
Isomeric SMILES	C1CN(CC(C1N)F)C(=O)OCC2=CC=CC=C2
PubChem CID	49761211
Molecular Weight	252.29

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

Kingdom Organic compounds
- Superclass Benzenoids
  - Class Benzene and substituted derivatives
    - Subclass Benzyloxycarbonyls

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Benzene and substituted derivatives
Subclass	Benzyloxycarbonyls
Intermediate Tree Nodes	Not available
Direct Parent	Benzyloxycarbonyls
Alternative Parents	Piperidinecarboxylic acids Aminopiperidines Carbamate esters Tertiary amines Azacyclic compounds Organofluorides Organic oxides Monoalkylamines Hydrocarbon derivatives Carbonyl compounds Alkyl fluorides
Molecular Framework	Aromatic heteromonocyclic compounds
Substituents	Benzyloxycarbonyl - Piperidinecarboxylic acid - 4-aminopiperidine - Piperidine - Carbamic acid ester - Tertiary amine - Organoheterocyclic compound - Azacycle - Alkyl fluoride - Primary amine - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Primary aliphatic amine - Carbonyl group - Organic oxygen compound - Organic nitrogen compound - Amine - Alkyl halide - Aromatic heteromonocyclic compound
Description	This compound belongs to the class of organic compounds known as benzyloxycarbonyls. These are organic compounds containing a carbonyl group substituted with a benzyloxyl group.
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

3D Structure

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	252.280 g/mol
XLogP3	1.300
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	3
Exact Mass	252.127 Da
Monoisotopic Mass	252.127 Da
Topological Polar Surface Area	55.600 Å²
Heavy Atom Count	18
Formal Charge	0
Complexity	282.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	2
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
The total count of all stereochemical bonds	0
Covalently-Bonded Unit Count	1

Solution Calculators

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