1-Formylhomopiperazine

C6H12N2OCAS 29053-62-1128.18 g/mol

Open in Covalent MOL file
NHNO
AmideSecondary amine

Properties

Molecular formula
C6H12N2O
Molar mass
128.18 g/mol
Exact mass
128.0950 Da
logP
-0.56Crippen estimate
Polar surface area
32.3 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
1

Hazards

Danger
Corrosive (GHS05)

Aggregated from 5 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P260, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P405, P501

Identifiers

CAS number
29053-62-1
SMILES
C1CNCCN(C1)C=O
InChIKey
RNNVQNMOFQXXTH-UHFFFAOYSA-N
InChI
InChI=1S/C6H12N2O/c9-6-8-4-1-2-7-3-5-8/h6-7H,1-5H2

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

1 names
  • 1,4-Diazepane-1-carbaldehyde

Work with 1-Formylhomopiperazine

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

1-Piperazinecarboxaldehyde7755-92-281 % similar 1-Pyrrolidinecarboxaldehyde3760-54-159 % similar N-Formylpiperidine2591-86-857 % similar 1,4-Piperazinedicarboxaldehyde4164-39-050 % similar N,N-Dibutylformamide761-65-948 % similar N-Formylmorpholine4394-85-841 % similar 1-Methylhomopiperazine4318-37-039 % similar N'-(3-(Dimethylamino)propyl)-N,N-dimethyl-1,3-propanediamine6711-48-437 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

(5S)-1,5-Dimethylpiperazin-2-one1068149-94-9 (S)-(-)-3-Acetamidopyrrolidine114636-31-6 (3R)-(+)-3-Acetamidopyrrolidine131900-62-4 1-Acetylpiperazine13889-98-0 1-Aminocyclopentanecarboxamide17193-28-1 3-Aminoazepan-2-one17929-90-7 Pipecolamide19889-77-1 L-2-Aminohexano-6-lactam21568-87-6

Elsewhere

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