Home > Compound List > Compound details
118632-64-7 molecular structure
click picture or here to close

3-carbamimidoyl-1,1-dimethylurea

ChemBase ID: 77786
Molecular Formular: C4H10N4O
Molecular Mass: 130.1484
Monoisotopic Mass: 130.08546096
SMILES and InChIs

SMILES:
N(C)(C)C(=O)NC(=N)N
Canonical SMILES:
CN(C(=O)NC(=N)N)C
InChI:
InChI=1S/C4H10N4O/c1-8(2)4(9)7-3(5)6/h1-2H3,(H4,5,6,7,9)
InChIKey:
YMYQMVUUWPSXRQ-UHFFFAOYSA-N

Cite this record

CBID:77786 http://www.chembase.cn/molecule-77786.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
3-carbamimidoyl-1,1-dimethylurea
IUPAC Traditional name
3-carbamimidoyl-1,1-dimethylurea
Synonyms
1-(Dimethylcarbamoyl)guanidine
3-(Aminoiminomethyl)-1,1-dimethylurea
3-(Carbamimidoyl)-1,1-dimethylurea
CAS Number
118632-64-7
MDL Number
MFCD11035729
PubChem SID
162042652
PubChem CID
20160555

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Apollo Scientific
OR15986 external link Add to cart Please log in.
Data Source Data ID
PubChem 20160555 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 13.406075  H Acceptors
H Donor LogD (pH = 5.5) -3.328415 
LogD (pH = 7.4) -1.8499119  Log P -1.1915908 
Molar Refractivity 43.7727 cm3 Polarizability 12.384988 Å3
Polar Surface Area 82.21 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Safety Information Bioassay(PubChem)
Storage Warning
Irritant 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