Propan-2-yl 2-(nitroamino)-4,5,6,7-tetrahydro-1H-1,3-diazepine-7-carboxylate

HCID 213375

Notes Reactions

Substructure search Find similar structures

Basic information

CAS: 26281-66-3
Standard SMILES: CC(C)OC(=O)C1CCCN=C(N[N+](=O)[O-])N1
InChIKey: PLVLCORAOVHTEX-UHFFFAOYSA-N
Molecular formula: C9H16N4O4
Average molar mass: 244.25 g/mol
Monoisotopic mass: 244.117155

Names & identifiers

Preferred name: Propan-2-yl 2-(nitroamino)-4,5,6,7-tetrahydro-1H-1,3-diazepine-7-carboxylate
IUPAC: propan-2-yl 2-nitramido-4,5,6,7-tetrahydro-1H-1,3-diazepine-7-carboxylate

Names & synonyms

26281-66-3propan-2-yl 2-(nitroamino)-4,5,6,7-tetrahydro-1h-1,3-diazepine-7-carboxylateDTXSID80949145RefChem:1096670DTXCID701377346OG-57(+)-Isopropyl hexahydro-2-(nitroimino)-1H-1,3-diazepine-4-carboxylate1H-1,3-Diazepine-4-carboxylic acid, hexahydro-2-(nitroimino)-, isopropyl ester, (+)-

Database identifiers

CAS: 26281-66-3
PubChem CID: 213375
DTXSID: DTXSID80949145

Properties

Computed structural properties

XLogP: 0.7
Topological polar surface area: 109 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 5
Rotatable bonds: 4
Heavy atoms: 17
Formal charge: 0
Complexity: 323

Related reactions

0 records

New reaction record

No reaction records under the current filter.

Compound notes

Loading…