3,8-Diazabicyclo(3.2.1)octane-2,4-dione, 8-amino-3-methyl-

HCID 217064

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Basic information

CAS: 38074-20-3
Standard SMILES: CN1C(=O)C2CCC(C1=O)N2N
InChIKey: REDXCMZCCZLQCV-UHFFFAOYSA-N
Molecular formula: C7H11N3O2
Average molar mass: 169.18 g/mol
Monoisotopic mass: 169.0851266

Names & identifiers

Preferred name: 3,8-Diazabicyclo(3.2.1)octane-2,4-dione, 8-amino-3-methyl-
IUPAC: 8-amino-3-methyl-3,8-diazabicyclo[3.2.1]octane-2,4-dione
English name: 3,8-Diazabicyclo(3.2.1)octane-2,4-dione, 8-amino-3-methyl-
Molecular formula: C7H11N3O2
Molecular weight: 169.18

Names & synonyms

8-amino-3-methyl-3,8-diazabicyclo[3.2.1]octane-2,4-dioneBRN 06451503,8-Diazabicyclo(3.2.1)octane-2,4-dione, 8-amino-3-methyl-8-Amino-3-methyl-3,8-diazabicyclo(3.2.1)octane-2,4-dioneDTXSID809590225-24-07-00253 (Beilstein Handbook Reference)RefChem:272733DTXCID40138691438074-20-3DB-2714563,8-Diazabicyclo[3.2.1]octane-2,4-dione,8-amino-3-methyl-(9CI)

Database identifiers

CAS: 38074-20-3
PubChem CID: 217064
DTXSID: DTXSID80959022
Nikkaji: J68.432E

Properties

Computed structural properties

XLogP: -0.8
Topological polar surface area: 66.6 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 4
Rotatable bonds: 0
Heavy atoms: 12
Formal charge: 0
Complexity: 229

Physicochemical properties

EWG's Food Scores: 1 · 1

Chemistry & industry

Suppliers2 total

CHEMSTEP[email protected]

HONEST JOY HOLDINGS LIMITED[email protected]

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Compound notes

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