Home > Compound List > Compound details
42504-87-0 molecular structure
click picture or here to close

(2-methylpropyl)hydrazine hydrate

ChemBase ID: 237045
Molecular Formular: C4H14N2O
Molecular Mass: 106.16676
Monoisotopic Mass: 106.11061308
SMILES and InChIs

SMILES:
N(N)CC(C)C.O
Canonical SMILES:
NNCC(C)C.O
InChI:
InChI=1S/C4H12N2.H2O/c1-4(2)3-6-5;/h4,6H,3,5H2,1-2H3;1H2
InChIKey:
SJBWJOHNKQXLKR-UHFFFAOYSA-N

Cite this record

CBID:237045 http://www.chembase.cn/molecule-237045.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
(2-methylpropyl)hydrazine hydrate
IUPAC Traditional name
(2-methylpropyl)hydrazine hydrate
Synonyms
isobutylhydrazine hydrate
CAS Number
42504-87-0
MDL Number
MFCD08447216
PubChem SID
164292955
PubChem CID
20847945

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Enamine
EN300-10511 external link Add to cart Please log in.
Data Source Data ID
PubChem 20847945 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -0.1052605  LogD (pH = 7.4) 0.42090446 
Log P 0.4341889  Molar Refractivity 38.6399 cm3
Polarizability 10.95869 Å3 Polar Surface Area 38.05 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Product Information Bioassay(PubChem)
Hydrophobicity(logP)
0.393 expand Show data source
Purity
95% expand Show data source
Salt Data
H2O expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

From Suppliers Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
    No data available
  • Searching...Please wait...

PATENTS

PATENTS

PubChem iconPubChem Patent Google Patent Search IconGoogle Patent

INTERNET

INTERNET

Baidu iconBaidu google iconGoogle