CAS 24310-18-7 3-Methylbutanehydrazide (HCID 32283)

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Basic information

CAS: 24310-18-7
Standard SMILES: CC(C)CC(=O)NN
InChIKey: OQNKZWDYYSHLPO-UHFFFAOYSA-N
Molecular formula: C5H12N2O
Average molar mass: 116.16 g/mol
Monoisotopic mass: 116.094963

Names & identifiers

Preferred name: 3-Methylbutanehydrazide
IUPAC: 3-methylbutanehydrazide
English name: isovalerichydrazide
Molecular formula: C5H12N2O
Molecular weight: 116.16

Names & synonyms

3-methylbutanehydrazide24310-18-7IsovalerohydrazideIsovaleric hydrazide3-Methylbutanoic acid hydrazideIsobutylcarbonyl hydrazineButanoic acid, 3-methyl-, hydrazideISOVALERIC ACID, HYDRAZIDEIsovaleriansaeurehydrazidIsovaleriansaeurehydrazid [German]9KR4OE07SPNSC 523270

Show more names

isovalerichydrazide3-methylbutyrohydrazideisovalericacid,hydrazide3-methyl-butanoicacihydrazide3-methylbutanoicacidhydrazide

BRN 1700750ISOVALERYLHYDRAZINEUNII-9KR4OE07SPNSC-523270ISOBUTYLCARBONYLHYDRAZINEButanoic acid, 3-methyl-, hydrazide (9CI)DTXSID601790494-02-00-00903 (Beilstein Handbook Reference)

Database identifiers

CAS: 24310-18-7
PubChem CID: 32283
DTXSID: DTXSID60179049
UNII: 9KR4OE07SP
EC Number: 844-742-0
Nikkaji: J1.607.320B

Properties

Computed structural properties

XLogP: -0.3
Topological polar surface area: 55.1 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 2
Rotatable bonds: 2
Heavy atoms: 8
Formal charge: 0
Complexity: 80.5

Physicochemical properties

Melting point: 158 °C · 158 °C
Boiling point: 250.8 · 250.8±9.0 °C(Predicted)
Density: 0.959 · 0.959±0.06 g/cm3(Predicted)
pka: 13.59 · 13.59±0.18(Predicted)
FDA UNII: 9 KR4OE07SP · 9KR4OE07SP
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H315-H319-H335
Precautionary statements: 261 · P261-P305+P351+P338

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.