(3S)-(+)-1-Benzyl-3-(ethylamino)pyrrolidine - ≥95% , CAS No.169750-99-6

CAS: 169750-99-6 Cat. No.: S161307 Molecular Weight: 204.32 EC Number: 678-010-5
AVAILABLE TO ORDER
GRADE & PURITY ≥95%
Synonyms
A3751 | DTXSID40494267 | T70408 | (3S)-(+)-1-Benzyl-3-(ethylamino)pyrrolidine | (S)-1-benzyl-N-ethylpyrrolidin-3-amine | AS-81155 | B1581 | MFCD00191307 | 3-Pyrrolidinamine,N-ethyl-1-(phenylmethyl)-,(3S)- | J-010578 | (3S)-1-Benzyl-N-Ethylpyrrolidin-3-Ami
Storage
Argon charged,Room temperature
Shipped In
Normal
 ·  off list, applied to all prices below.
Size
Status
Price
Qty
250mg
S161307-250mg
3
$119.90
1g
S161307-1g
2
$360.90
5g
S161307-5g
1
$1,132.90
Enter a quantity for the sizes you want to add.
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Why this grade

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

🌡

Storage & shipping

Argon charged,Room temperature Ships Normal 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.

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Literature proof

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

Specifications

Synonyms
A3751 | DTXSID40494267 | T70408 | (3S)-(+)-1-Benzyl-3-(ethylamino)pyrrolidine | (S)-1-benzyl-N-ethylpyrrolidin-3-amine | AS-81155 | B1581 | MFCD00191307 | 3-Pyrrolidinamine, N-ethyl-1-(phenylmethyl)-, (3S)- | J-010578 | (3S)-1-Benzyl-N-Ethylpyrrolidin-3-Ami
Specifications & Purity
≥95%
Storage
Argon charged, Room temperature
Shipped In
Normal
Purity
≥95%
Names and Identifiers
Pubchem Sid504767078
Pubchem Sid Urlhttps://pubchem.ncbi.nlm.nih.gov/substance/504767078
Canonical SmilesCCNC1CCN(C1)CC2=CC=CC=C2
IUPAC Name(3S)-1-benzyl-N-ethylpyrrolidin-3-amine
InChIKeyZSIUSRJKSLXIJH-ZDUSSCGKSA-N
INCHI1S/C13H20N2/c1-2-14-13-8-9-15(11-13)10-12-6-4-3-5-7-12/h3-7,13-14H,2,8-11H2,1H3/t13-/m0/s1
Isomeric SMILES CCN[C@H]1CCN(C1)CC2=CC=CC=C2
Molecular Weight 204.32
Reaxy-Rn 11404945
Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=11404945&ln=

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.

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🔬 Specification Sheet

Full quality attributes and acceptance criteria for this grade.

View spec sheet →

Advanced Data

Taxonomic Classification

Taxonomy Tree

KingdomOrganic compounds
SuperclassBenzenoids
ClassBenzene and substituted derivatives
SubclassPhenylmethylamines
Intermediate Tree Nodes Not available
Direct ParentPhenylmethylamines
Alternative Parents Benzylamines  Aralkylamines  N-alkylpyrrolidines  Trialkylamines  Dialkylamines  Azacyclic compounds  Hydrocarbon derivatives  
Molecular FrameworkAromatic heteromonocyclic compounds
Substituents Benzylamine - Phenylmethylamine - Aralkylamine - N-alkylpyrrolidine - Pyrrolidine - Tertiary amine - Tertiary aliphatic amine - Secondary amine - Azacycle - Secondary aliphatic amine - Organoheterocyclic compound - Amine - Hydrocarbon derivative - Organonitrogen compound - Organic nitrogen compound - Aromatic heteromonocyclic compound
DescriptionThis compound belongs to the class of organic compounds known as phenylmethylamines. These are compounds containing a phenylmethtylamine moiety, which consists of a phenyl group substituted by an methanamine.
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.

7 results found

Lot NumberCertificate TypeDateItem
K2323383Certificate of AnalysisNov 02, 2023 S161307
K2323384Certificate of AnalysisNov 02, 2023 S161307
K2323385Certificate of AnalysisNov 02, 2023 S161307
K2323386Certificate of AnalysisNov 02, 2023 S161307
K2323387Certificate of AnalysisNov 02, 2023 S161307
K2323388Certificate of AnalysisNov 02, 2023 S161307
L2523149Certificate of AnalysisNov 02, 2023 S161307
Chemical and Physical Properties
SensitivityAir sensitive
Refractive Index1.53
Specific Rotation[α]8° (C=10,EtOH)
Molecular Weight204.310 g/mol
XLogP31.900
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count4
Exact Mass204.163 Da
Monoisotopic Mass204.163 Da
Topological Polar Surface Area15.300 Ų
Heavy Atom Count15
Formal Charge0
Complexity175.000
Isotope Atom Count0
Defined Atom Stereocenter Count1
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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