1-Piperazinecarboxaldehyde

1-Piperazinecarboxaldehyde
Compound Structure:
Synonyms: 1-Formylpiperazine;7755-92-2;1-Piperazinecarboxaldehyde;Piperazine-1-carbaldehyde;1-Piperazinecarbaldehyde;Formylpiperazine;N-Formylpiperazine;Piperazine-1-carboxaldehyde;1-formyl piperazine
Compound ID: NMPC-121
PubChem ID:

82191
Molecular Formula: C5H10N2O
Canonical SMILES: C1CN(CCN1)C=O
InChIKey: MSSDTZLYNMFTKN-UHFFFAOYSA-N
About the compound:

1-piperazinecarboxaldehyde is classified as a member of the piperazine-1-carbaldehydes, characterized by a piperazine molecule substituted by a formyl group at position 1. Formylpiperazine, with the molecular formula C5H10N2O, is a chemical compound that can be described as a piperazine derivative. It contains a formyl group (CHO) attached to one of the nitrogen atoms within the piperazine ring. Piperazine itself is a heterocyclic compound featuring a six-membered ring with two nitrogen atoms in its structure.

GHS Hazard Statements

• H302 (89.13%): Harmful if swallowed [Warning Acute toxicity, oral]

• H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

• H318 (89.13%): Causes serious eye damage [Danger Serious eye damage/eye irritation]

• H319 (10.87%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]

• H335 (97.83%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Properties:

Chemical and Physical Properties

Property Name

Property Value

Molecular Weight

114.15 g/mol

XLogP3-AA

-0.9

Hydrogen Bond Donor Count

1

Hydrogen Bond Acceptor Count

2

Rotatable Bond Count

0

Exact Mass

114.079312947 g/mol

Monoisotopic Mass

114.079312947 g/mol

Topological Polar Surface Area

32.3Ų

Heavy Atom Count

8

Formal Charge

0

Complexity

78.5

Isotope Atom Count

0

Defined Atom Stereocenter Count

0

Undefined Atom Stereocenter Count

0

Defined Bond Stereocenter Count

0

Undefined Bond Stereocenter Count

0

Covalently-Bonded Unit Count

1

Compound Is Canonicalized

Yes

Source: PubChem
Source Species: Hibiscus asper
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