CAS 176178-88-4 1-Methylpiperidine-4-carbohydrazide (HCID 468608)

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Basic information

CAS: 176178-88-4
Standard SMILES: CN1CCC(C(=O)NN)CC1
InChIKey: YZQKKXPYOIDSJJ-UHFFFAOYSA-N
Molecular formula: C7H15N3O
Average molar mass: 157.21 g/mol
Monoisotopic mass: 157.12151211

Names & identifiers

Preferred name: 1-Methylpiperidine-4-carbohydrazide
IUPAC: 1-methylpiperidine-4-carbohydrazide
English name: 4-Piperidinecarboxylicacid,1-methyl-,hydrazide(9CI)
Molecular formula: C7H15N3O
Molecular weight: 157.21

Names & synonyms

1-methylpiperidine-4-carbohydrazide176178-88-41-Methyl-4-piperidinecarbohydrazideMFCD131885584-Piperidinecarboxylic acid, 1-methyl-, hydrazide4-Piperidinecarboxylicacid,1-methyl-,hydrazide(9CI)CHEMBL442021SCHEMBL4056944DTXSID60332834YZQKKXPYOIDSJJ-UHFFFAOYSA-NALBB-018708AC4733

Show more names

1-methylisonipecotohydrazide1-Methylpiperidine-4-formylhydrazine1-methyl-4-piperidinecarbohydrazide(SALTDATA: FREE)

AKOS006333848SB42665LS-06139SY011660DB-065142CS-03142291-Methyl-4-piperidinecarboxylic acid, hydrazide1-Methyl-4-piperidinecarbohydrazide, AldrichCPR

Database identifiers

CAS: 176178-88-4
PubChem CID: 468608
DTXSID: DTXSID60332834
ChEMBL: CHEMBL442021

Properties

Computed structural properties

XLogP: -0.7
Topological polar surface area: 58.4 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 3
Rotatable bonds: 1
Heavy atoms: 11
Formal charge: 0
Complexity: 141

Physicochemical properties

Melting point: 143 · 143-144 °C(Solv: benzene (71-43-2))
Boiling point: 316.3 · 316.3±31.0 °C(Predicted)
Density: 1.086 · 1.086±0.06 g/cm3(Predicted)
pka: 13.29 · 13.29±0.20(Predicted)
form: solid
InChI: InChI=1S/C7H15N3O/c1-10-4-2-6(3-5-10)7(11)9-8/h6H,2-5,8H2,1H3,(H,9,11)
InChIKey: YZQKKXPYOIDSJJ-UHFFFAOYSA-N
SMILES: N1(C)CCC(C(NN)=O)CC1
UNSPSC Code: 12352125 · 12352125
NACRES: 21 · NA.21
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H315-H319-H335
Precautionary statements: 261 · P261-P280-P301+P312-P302+P352-P305+P351+P338
WGK Germany: 3 · 3
HS Code: 2933399990 · 2933399990