exo-3-Benzyl-3-azabicyclo[3.1.0]hexane-6-methanol

Name: exo-3-Benzyl-3-azabicyclo[3.1.0]hexane-6-methanol
Brand: ChemScene
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CAS No. 134575-07-8
Cat. No. CS-0053837
Purity≥95%
MDL No.MFCD16140332

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Excepted Quantity	$0.00
FedEx Limited Quantities Ground	$0.00
Hazmat Ground shipping	$50.00+
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Accessible (Haz class 3, 4, 5 or 8), Domestic	$158.00+
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exo-3-Benzyl-3-azabicyclo[3.1.0]hexane-6-methanol|CS-0053837

Structure of 134575-07-8

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General Information

CAS No. 134575-07-8
Cat. No. CS-0053837
Purity ≥95%
MDL No. MFCD16140332
Storage Store at room temperature
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₁₃H₁₇NO
Molecular Weight 203.28
Synonym(s) [(1R,5S,6R)-3-Benzyl-3-azabicyclo[3.1.0]hexan-6-yl]methanol
SMILES OC[C@@H]1[C@@]2([H])CN(CC3=CC=CC=C3)C[C@@]12[H]

Description

exo-3-Benzyl-3-azabicyclo[3.1.0]hexane-6-methanol features a rigid, strained bicyclic scaffold with a pendant benzyl group and a terminal hydroxymethyl function. This configuration supports precise spatial positioning in medicinal chemistry applications, enabling targeted interactions in CNS-directed drug discovery. The molecule exhibits favorable solubility and stability under standard bench conditions.

Application

exo-3-Benzyl-3-azabicyclo[3.1.0]hexane-6-methanol serves as a rigid, conformationally constrained bicyclic scaffold with well-defined stereochemistry, enabling precise spatial presentation of functional groups in medicinal chemistry campaigns. The tertiary alcohol at the exo-position offers a handle for derivatization, while the benzylated nitrogen and remote hydroxyl group provide orthogonal reactivity. This compound exhibits excellent bench stability and facilitates efficient functionalization in standard synthetic workflows, making it a valuable building block for targeted library synthesis and CNS-penetrant molecule development.

Safety Information

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GHS Pictogram :	GHS No : GHS07
Signal Word : Warning	UN#: N/A
Class : N/A	Packing Group : N/A
Hazard Statements : H302-H315-H319-H335
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501

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Computational Chemistry Data

TPSA 23.47
LogP 1.3567
H_Acceptors 2
H_Donors 1
Rotatable_Bonds 3

Other Classifications

Building Blocks Skeleton Chiral compounds Chiral Building Blocks

Building Blocks Skeleton Aliphatic heterocycle compounds Pyrrolidine compounds

Building Blocks Skeleton Aliphatic heterocycle compounds Piperidine compounds

Building Blocks Skeleton Bridge Rings compounds Other bridge ring compounds

Building Blocks Skeleton Aromatic ring compounds Benzene compounds

Building Blocks Skeleton Fatty ring compounds Cyclopropane compounds

Key Words

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exo-3-Benzyl-3-azabicyclo[3.1.0]hexane-6-methanol

CAS No. 134575-07-8

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