4-Methylbenzenesulfonic acid;3-oxa-6-azabicyclo[3.1.1]heptane

Name: 4-Methylbenzenesulfonic acid;3-oxa-6-azabicyclo[3.1.1]heptane
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CAS No. 1414860-36-8
Cat. No. CS-0029958
Molecule weight271.33
Purity≥98%
MDL No.MFCD28383857

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Accessible (Haz class 3, 4, 5 or 8), Domestic	$158.00+
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4-Methylbenzenesulfonic acid;3-oxa-6-azabicyclo[3.1.1]heptane|CS-0029958

Structure of 1414860-36-8

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General Information

CAS No. 1414860-36-8
Cat. No. CS-0029958
Purity ≥98%
MDL No. MFCD28383857
Storage Sealed in dry,2-8℃
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₁₂H₁₇NO₄S
Molecular Weight 271.33
Synonym(s) 3-Oxa-6-azabicyclo[3.1.1]heptane 4-methylbenzenesulfonate
SMILES O=S(C1=CC=C(C)C=C1)(O)=O.C2(C3)COCC3N2

Safety Information

Download SDS

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-P330-P362+P364-P405-P501

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Computational Chemistry Data

TPSA 75.63
LogP 0.98882
H_Acceptors 4
H_Donors 2
Rotatable_Bonds 1

Other Classifications

Building Blocks Skeleton Aromatic ring compounds Benzene compounds

Building Blocks Skeleton Bridge Rings compounds Other bridge ring compounds

Key Words

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4-Methylbenzenesulfonic acid;3-oxa-6-azabicyclo[3.1.1]heptane

CAS No. 1414860-36-8

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