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Home › Product Catalog › (1S,4S)-2,5-Diazabicyclo[2.2.1]heptan-3-one

(1S,4S)-2,5-Diazabicyclo[2.2.1]heptan-3-one

CAS 80986-21-6C5H8N2OMW 112.13

(1S,4S)-2,5-Diazabicyclo[2.2.1]heptan-3-one (CAS 80986-21-6) — formula C5H8N2O, molecular weight 112.13; category organic chemicals.

Product Description

(1S,4S)-2,5-Diazabicyclo[2.2.1]heptan-3-one (CAS 80986-21-6) is a chemical raw material in the organic chemicals category. Its molecular formula C5H8N2O comprises 5 C, 8 H, 2 N, 1 O atoms. Its molecular weight is about 112.13. Reported physicochemical data: LogP about -0.9. As a sourcing and distribution partner we help locate and compare this item across domestic and cross-border channels, arranging samples and batch orders with full COA and compliance files.

Product Overview

CAS Number80986-21-6
Molecular FormulaC5H8N2O
Molecular Weight112.13
LogP-0.9
CategoryOrganic Chemicals

Technical Profile

What this product is

(1S,4S)-2,5-Diazabicyclo[2.2.1]heptan-3-one is a carbon-based organic compound with CAS registry number 80986-21-6 and molecular formula C5H8N2O (molecular weight 112.13), belonging to the organic chemicals segment of chemical raw materials.

Identification

CAS number: 80986-21-6

Its molecular formula C5H8N2O comprises 5 C, 8 H, 2 N, 1 O atoms.

Also known as: (1S,4S)-2,5-Diazabicyclo[2.2.1]heptan-3-one · (1S,4S)-2,5-二氮杂双环[2.2.1]庚-3-酮

Category: organic chemicals

Frequently Asked Questions

What is the CAS number of (1S,4S)-2,5-Diazabicyclo[2.2.1]heptan-3-one?

The CAS registry number of (1S,4S)-2,5-Diazabicyclo[2.2.1]heptan-3-one is 80986-21-6.

What is the molecular formula and molecular weight of (1S,4S)-2,5-Diazabicyclo[2.2.1]heptan-3-one?

Molecular formula C5H8N2O, molecular weight 112.13.

What other names is (1S,4S)-2,5-Diazabicyclo[2.2.1]heptan-3-one known by?

It is also registered under: (1S,4S)-2,5-Diazabicyclo[2.2.1]heptan-3-one, (1S,4S)-2,5-二氮杂双环[2.2.1]庚-3-酮.

Which category does (1S,4S)-2,5-Diazabicyclo[2.2.1]heptan-3-one belong to?

Category: Organic Chemicals.

Packaging & documentation

Packaging is agreed per order, from lab-scale packs to bulk, and confirmed with each order rather than fixed on the page. A Certificate of Analysis (COA) ships with every batch and MSDS is available; where the end use carries a regulatory limit (food contact, pharmaceutical or cosmetic), state the standard at enquiry and the grade is set against it.

PubChem Public Data

Independent reference data for (1S,4S)-2,5-Diazabicyclo[2.2.1]heptan-3-one (CAS 80986-21-6), compiled from public chemistry databases.

Registry identifiers across databases

CAS Number80986-21-6
PubChem CID12831721
Molecular FormulaC5H8N2O
IUPAC Name(1S,4S)-2,5-diazabicyclo[2.2.1]heptan-3-one

Computed descriptors

Molecular Weight112.13
XLogP3-0.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Exact Mass112.063662883
Monoisotopic Mass112.063662883
Topological Polar Surface Area41.1
Heavy Atom Count8

Synonyms and trade names

(1S,4S)-2,5-Diazabicyclo[2.2.1]heptan-3-one; (1S,4S)-2,5-Diazabicyclo(2.2.1)heptan-3-one; RefChem:394181; 958-190-4; 80986-21-6; MFCD19687985; SCHEMBL11269671; DTXSID301267187; AKOS030254014; PS-17457; CS-0455963; F88327; 2,5-Diazabicyclo[2.2.1]heptan-3-one, (1S)-; SCHEMBL3069661; (1S,4S)-2,5-diazabicyclo[2 2 1]heptan-3-one

GHS hazard classification

Notified hazard statementsH315 (100%), H319 (100%), H335 (100%)

Source: PubChem / Wikidata; the batch COA governs where values differ.

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Supplier: Jinan Shenghe Chemical Co., Ltd.

中文页面: (1S,4S)-2,5-二氮杂双环[2.2.1]庚-3-酮

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