2,2-Dimethylpropanehydrazide

HCID 545147CAS 42826-42-6

Substructure search Find similar structures

Basic information

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

Names & identifiers

Preferred name: 2,2-Dimethylpropanehydrazide
IUPAC: 2,2-dimethylpropanehydrazide
English name: 2,2-Dimethylpropionic acid hydrazide
Molecular formula: C5H12N2O
Molecular weight: 116.16

Names & synonyms

2,2-dimethylpropanehydrazideRefChem:441459610-065-22,2-Dimethylpropionic acid hydrazide42826-42-6PivalohydrazidePIVALIC ACID HYDRAZIDE2,2-DimethylpropanohydrazidePivaloylhydrazineMFCD01310839Pivalic acid, hydrazidetert-Pentanoic acid hydrazide

Show more names

RARECHEM AQ A3 0101Pvalic acid hydrazidepivalinic acid hydrazidePivaloyl hydrazide, 98+%Pivaloyl hydrazide, 98+% 5GR

2,2-DimethylpropanoylhydrazinePivaloyl Hydrazide2,2-DimethylpropionicacidhydrazideTrimethylacethydrazide2,2-Dimethyl-propionic acid hydrazidetrimethylacetic hydrazidePropanoic acid, 2,2-dimethyl-, hydrazideSCHEMBL168766

Database identifiers

CAS: 42826-42-6
PubChem CID: 545147
DTXSID: DTXSID80337861
EC Number: 610-065-2
Nikkaji: J860.783D

Properties

Computed structural properties

XLogP: 0.2
Topological polar surface area: 55.1 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 2
Rotatable bonds: 1
Heavy atoms: 8
Formal charge: 0
Complexity: 93.1

Experimental & physicochemical properties

LogP-0.35

Physicochemical properties

Melting point: 65 · 65-67 °C
Boiling point: 95 · 95-110 °C (0.7501 mmHg)
Density: 0.962 · 0.962±0.06 g/cm3(Predicted)
storage temp.: -20 °C · Keep in dark place,Inert atmosphere,Store in freezer, under -20°C
pka: 13.46 · 13.46±0.50(Predicted)
form: Crystals
color: White
InChI: 1S/C5H12N2O/c1-5(2,3)4(8)7-6/h6H2,1-3H3,(H,7,8)
InChIKey: OARJXUPBZNUYBG-UHFFFAOYSA-N
SMILES: CC(C)(C)C(=O)NN
CAS DataBase Reference: 42826 · 42826-42-6(CAS DataBase Reference)
UNSPSC Code: 12352125 · 12352125
Symbol(GHS): 2 · GHS02,GHS07
Signal word: Danger
Hazard statements: 228 · H228-H302-H315-H319-H335
Precautionary statements: 210 · P210-P240-P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P312-P330-P362-P370+P378-P403+P233-P501
Hazard Codes: Xn-F,T
Risk Statements: 44 · 44-36/37/38-22-11-25
Safety Statements: 37 · 37/39-26-16-45
WGK Germany: 3 · WGK 3
HazardClass: IRRITANT
HS Code: 29280090 · 29280090
Storage Class: 6.1 C · 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
Hazard Classifications: 3 Oral · Acute Tox. 3 Oral

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H301 (93%): Toxic if swallowed [Danger Acute toxicity, oral]

P264, P270, P301+P316, P321, P330, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 43 reports by companies from 4 notifications to the ECHA C&L Inventory.

Hazard information

Hazard Classes and CategoriesAcute Tox. 3 (93%)

Safety data

wgk: WGK 3
hs_code: 29280090
risk_code: 44-36/37/38-22-11-25
Signal word: Danger
Symbol(GHS): GHS02,GHS07
hazard_code: Xn-F,T
safety_code: 37/39-26-16-45
hazard_class: IRRITANT
Storage Class: 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
Hazard statements: H228-H302-H315-H319-H335
Hazard Classifications: Acute Tox. 3 Oral
Precautionary statements: P210-P240-P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P312-P330-P362-P370+P378-P403+P233-P501