1,4-Diazabicyclo[3.2.1]octane

HCID 12374077
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Basic information

CAS
5167-08-8
Standard SMILES
C1CN2CCC(C2)N1
InChIKey
KYCAEEFYFFBAAP-UHFFFAOYSA-N
Molecular formula
C6H12N2
Average molar mass
112.17 g/mol
Monoisotopic mass
112.10004839

Names & identifiers

Preferred name
1,4-Diazabicyclo[3.2.1]octane
IUPAC
1,4-diazabicyclo[3.2.1]octane
English name
1,4-Diazabicyclo[3.2.1]octane
Molecular formula
C6H12N2
Molecular weight
112.17

Names & synonyms

1,4-diazabicyclo[3.2.1]octane5167-08-8MFCD19216438SCHEMBL193508SCHEMBL767920SCHEMBL973091SCHEMBL6484885CHEMBL5222474SCHEMBL26092902DTXSID40494984KYCAEEFYFFBAAP-UHFFFAOYSA-NZB1779
Show more names
AKOS006347625AB89958CCG-358149SB20762SB20764(1S)-1,4-Diazabicyclo[3.2.1]octaneDB-071394CS-0046684

Database identifiers

CAS
5167-08-8
PubChem CID
12374077
DTXSID
DTXSID40494984
ChEMBL
CHEMBL5222474

Properties

Computed structural properties

XLogP
-0.2
Topological polar surface area
15.3 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
2
Rotatable bonds
0
Heavy atoms
8

Chemistry & industry

Upstream & downstream products

Upstream raw materials

Suppliers10 total

上海相辉医药科技有限公司13761987713; 13761987713 · [email protected]
天津安浩生物科技有限公司[email protected]
南京合巨药业有限公司25-57027686 17372956142 · [email protected]
长沙博诺新材料科技有限公司18191076804 · [email protected]
江阴康源生物医药科技有限公司0510-86010668 · [email protected]

Related reactions

11 records
New reaction record

Compound notes

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