3-benzyl-3,8-diazabicyclo[3.2.1]octane - ≥97% , CAS No.67571-90-8

CAS: 67571-90-8 Cat. No.: B177146 Peso molecular: 202.30 Número EC: 873-971-9
Disponible para pedir
GRADE & PURITY ≥97%
Synonyms
AKOS000282825 | SY047190 | P12759 | SB38248 | SCHEMBL334616 | AS-51474 | A846847 | AKOS016842428 | DTXSID00497951 | FT-0662735 | 3-BENZYL-3,8-DIAZABICYCLO[3.2.1]OCTANE | 3-benzyl-3,8-diaza-bicyclo[3.2.1]octane | 3-benzyl-3,8diaza-bicyclo[3.2.1]octane | EN
Storage
Store at 2-8°C,Argon charged
Shipped In
Wet ice
 ·  off list, applied to all prices below.
Size
Estado
Price
Qty
250mg
B177146-250mg
8-12 wks(?) Production requires sourcing of materials. We appreciate your patience and understanding.
49,90US$
1g
B177146-1g
8-12 wks(?) Production requires sourcing of materials. We appreciate your patience and understanding.
139,90US$
5g
B177146-5g
8-12 wks(?) Production requires sourcing of materials. We appreciate your patience and understanding.
489,90US$
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,Argon charged 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

Sinónimos
AKOS000282825 | SY047190 | P12759 | SB38248 | SCHEMBL334616 | AS-51474 | A846847 | AKOS016842428 | DTXSID00497951 | FT-0662735 | 3-BENZYL-3, 8-DIAZABICYCLO[3.2.1]OCTANE | 3-benzyl-3, 8-diaza-bicyclo[3.2.1]octane | 3-benzyl-3, 8diaza-bicyclo[3.2.1]octane | EN
Especificaciones y pureza
≥97%
Condiciones de almacenamiento de almacenamiento
Store at 2-8°C, Argon charged
Enviado en
Wet ice
Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.
Pureza
≥97%
Nombres e identificadores
Sonrisas canónicasC1CC2CN(CC1N2)CC3=CC=CC=C3
IUPAC Name3-benzyl-3,8-diazabicyclo[3.2.1]octane
InChIKeyQXMPIEOTDBYZDL-UHFFFAOYSA-N
INCHI1S/C13H18N2/c1-2-4-11(5-3-1)8-15-9-12-6-7-13(10-15)14-12/h1-5,12-14H,6-10H2
Isómeros SMILES C1CC2CN(CC1N2)CC3=CC=CC=C3
Peso molecular 202.30
Reaxy-Rn 609888
Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=609888&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.

View datasheet →

🔬 Specification Sheet

Full quality attributes and acceptance criteria for this grade.

View spec sheet →

Advanced Data

Taxonomic Classification

Taxonomy Tree

KingdomOrganic compounds
SuperclassBenzenoids
ClaseBenzene and substituted derivatives
SubclassPhenylmethylamines
Intermediate Tree Nodes Not available
Direct ParentPhenylmethylamines
Alternative Parents Benzylamines  N-alkylpiperazines  Azepanes  Aralkylamines  Pyrrolidines  Trialkylamines  Dialkylamines  Azacyclic compounds  Hydrocarbon derivatives  
Molecular FrameworkAromatic heteropolycyclic compounds
Substituents Benzylamine - Phenylmethylamine - Azepane - Aralkylamine - N-alkylpiperazine - 1,4-diazinane - Piperazine - Pyrrolidine - Tertiary aliphatic amine - Tertiary amine - Secondary amine - Organoheterocyclic compound - Azacycle - Secondary aliphatic amine - Amine - Organonitrogen compound - Hydrocarbon derivative - Organic nitrogen compound - Aromatic heteropolycyclic compound
DescripciónThis 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
Estructura 3D
Modelo de Estructura Química Interactiva





Objetivos asociados (humanos)
CCRF-CEM (65223 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CCRF-SB (186 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
DU-145 (51482 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
MCF7 (126967 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
MT4 (17854 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
SK-MEL-28 (48833 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
SK-MES-1 (413 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
WIL2-NS (170 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Mecanismos de acción
Certificados (CoA, COO, BSE/TSE y tabla de análisis)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:
Propiedades químicas y físicas
SensibilidadAir and moisture sensitive
Peso molecular202.300 g/mol
XLogP31.700
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Exact Mass202.147 Da
Monoisotopic Mass202.147 Da
Topological Polar Surface Area15.300 Ų
Heavy Atom Count15
Formal Charge0
Complexity199.000
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count2
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
The total count of all stereochemical bonds0
Covalently-Bonded Unit Count1
Calculadoras de soluciones
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