(1S,3S,5S)-tert-Butyl 3-carbamoyl-2-azabicyclo[3.1.0]hexane-2-carboxylate - ≥97% , CAS No.361440-67-7

CAS: 361440-67-7 Cat. No.: S588873 Molecular Weight: 226.27 EC Number: 609-213-9 PubChem CID: 51358357
AVAILABLE TO ORDER
GRADE & PURITY ≥97%
Synonyms
DS-1892 | DTXSID40679951 | (1S,3S,5S)-3-(Aminocarbonyl)-2-azabicyclo[3.1.0]hexane-2- carboxylic acid tert-butyl ester | 2-Azabicyclo[3.1.0]hexane-2-carboxylic acid, 3-(aminocarbonyl)-, 1,1-dimethylethyl ester, (1S,3S,5S)- | MFCD13151933 | AKOS015901870 |
Storage
Store at 2-8°C,Desiccated
Shipped In
Wet ice
 ·  off list, applied to all prices below.
Size
Status
Price
Qty
1g
S588873-1g
3

$14.90

$22.90
Save $8.00 (34.93%)
5g
S588873-5g
2

$50.90

$76.90
Save $26.00 (33.81%)
25g
S588873-25g
1

$204.90

$307.90
Save $103.00 (33.45%)
Enter a quantity for the sizes you want to add.
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Why this grade

≥97% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

🌡

Storage & shipping

Store at 2-8°C,Desiccated Ships Wet ice 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

Synonyms
DS-1892 | DTXSID40679951 | (1S, 3S, 5S)-3-(Aminocarbonyl)-2-azabicyclo[3.1.0]hexane-2- carboxylic acid tert-butyl ester | 2-Azabicyclo[3.1.0]hexane-2-carboxylic acid, 3-(aminocarbonyl)-, 1, 1-dimethylethyl ester, (1S, 3S, 5S)- | MFCD13151933 | AKOS015901870 |
Specifications & Purity
≥97%
Storage
Store at 2-8°C, Desiccated
Shipped In
Wet ice
This product requires cold chain shipping. Ground and other economy services are not available.
Purity
≥97%
Names and Identifiers
Pubchem Sid504771057
Pubchem Sid Urlhttps://pubchem.ncbi.nlm.nih.gov/substance/504771057
Canonical SmilesCC(C)(C)OC(=O)N1C2CC2CC1C(=O)N
IUPAC Nametert-butyl (1S,3S,5S)-3-carbamoyl-2-azabicyclo[3.1.0]hexane-2-carboxylate
InChIKeyVLAGXRRGXCNITB-FXQIFTODSA-N
INCHI1S/C11H18N2O3/c1-11(2,3)16-10(15)13-7-4-6(7)5-8(13)9(12)14/h6-8H,4-5H2,1-3H3,(H2,12,14)/t6-,7-,8-/m0/s1
Isomeric SMILES CC(C)(C)OC(=O)N1[C@H]2C[C@H]2C[C@H]1C(=O)N
Alternate CAS 361440-67-7
PubChem CID 51358357
Molecular Weight 226.27

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
ClassCarboxylic acids and derivatives
SubclassAmino acids, peptides, and analogues
Intermediate Tree Nodes Amino acids and derivatives - Alpha amino acids and derivatives
Direct ParentAlpha amino acid amides
Alternative Parents Piperidinecarboxylic acids  Piperidinecarboxamides  Pyrrolidinecarboxamides  Pyrrolidine carboxylic acids  Carbamate esters  Tertiary amines  Primary carboxylic acid amides  Azacyclic compounds  Organic oxides  Hydrocarbon derivatives  Carbonyl compounds  
Molecular FrameworkAliphatic heteropolycyclic compounds
Substituents Alpha-amino acid amide - 2-piperidinecarboxamide - Piperidinecarboxamide - Piperidinecarboxylic acid - Pyrrolidine-2-carboxamide - Pyrrolidine carboxylic acid or derivatives - Pyrrolidine carboxylic acid - Piperidine - Carbamic acid ester - Pyrrolidine - Carboxamide group - Tertiary amine - Primary carboxylic acid amide - Azacycle - Organoheterocyclic compound - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Carbonyl group - Amine - Organic nitrogen compound - Aliphatic heteropolycyclic compound
DescriptionThis compound belongs to the class of organic compounds known as alpha amino acid amides. These are amide derivatives of alpha amino acids.
External Descriptors Not available
3D Structure
Interactive Chemical Structure Model





Certificates(CoA,COO,BSE/TSE and Analysis Chart)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:

Find and download the COA for your product by matching the lot number on the packaging.

6 results found

Lot NumberCertificate TypeDateItem
J2313054Certificate of AnalysisSep 16, 2023 S588873
J2313055Certificate of AnalysisSep 16, 2023 S588873
J2313056Certificate of AnalysisSep 16, 2023 S588873
J2313057Certificate of AnalysisSep 16, 2023 S588873
J2313058Certificate of AnalysisSep 16, 2023 S588873
J2313059Certificate of AnalysisSep 16, 2023 S588873
Chemical and Physical Properties
Molecular Weight226.270 g/mol
XLogP30.700
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Exact Mass226.132 Da
Monoisotopic Mass226.132 Da
Topological Polar Surface Area72.600 Ų
Heavy Atom Count16
Formal Charge0
Complexity335.000
Isotope Atom Count0
Defined Atom Stereocenter Count3
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
The total count of all stereochemical bonds0
Covalently-Bonded Unit Count1
Solution Calculators
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