6-Amino-2,2-dimethyl-1,3-dioxepan-5-ol

HCID 3387444

Notes Reactions

Substructure search Find similar structures

Basic information

Standard SMILES: CC1(C)OCC(N)C(O)CO1
InChIKey: BXRMFUZPBYHYSM-UHFFFAOYSA-N
Molecular formula: C7H15NO3
Average molar mass: 161.2 g/mol

Names & identifiers

Preferred name: 6-Amino-2,2-dimethyl-1,3-dioxepan-5-ol
IUPAC: 6-amino-2,2-dimethyl-1,3-dioxepan-5-ol

Names & synonyms

6-amino-2,2-dimethyl-1,3-dioxepan-5-olL(+)-Aminodioxepane acetate6-Amino-2,2-dimethyl-1,3-dioxepane-5-olSCHEMBL4656389BXRMFUZPBYHYSM-UHFFFAOYSA-Ntrans-5-Amino-6-hydroxy-2,2-dimethyl-1,3-dioxacyloheptane

Database identifiers

PubChem CID: 3387444
Nikkaji: J2.812.245D

Properties

Computed structural properties

XLogP: -1.1
Topological polar surface area: 64.7 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 4
Rotatable bonds: 0
Heavy atoms: 11
Formal charge: 0
Complexity: 138

Related reactions

7 records

New reaction record

HRID 107623As productTraining data from https://doi.org/10.1039/C8SC04228D (2/10)

HRID 231070As reactantuspto-grants-1989_07

HRID 383039As reactantuspto-grants-2001_10

HRID 687306As reactantTraining data from https://doi.org/10.1039/C8SC04228D (3/10)

HRID 1280158As reactantuspto-grants-2002_09

HRID 1604181As reactantuspto-grants-1999_11

HRID 1650615As reactantuspto-grants-1990_05

Compound notes

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