HomeMCPWorkbenchSkills
HomeWorkbenchNotificationsMe
llms.txt · MCP GuidePrivacy Policy · Terms of Service · Supportv1.8.0
  1. Home
  2. /Compound

1,3-Diethyl-1,3-dimethylurea

HCID 19962452
New noteNew reactionRequest quotes
Print preview
Basic informationNames & identifiersPropertiesSafety & regulationRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

CAS
31468-19-6
Standard SMILES
CCN(C)C(=O)N(C)CC
InChIKey
CJKFVHIAEZFRKY-UHFFFAOYSA-N
Molecular formula
C7H16N2O
Average molar mass
144.21 g/mol
Monoisotopic mass
144.12626314

Names & identifiers

Preferred name
1,3-Diethyl-1,3-dimethylurea
IUPAC
1,3-diethyl-1,3-dimethylurea
English name
1,3-diethyl-1,3-dimethylurea
Molecular formula
C7H16N2O
Molecular weight
144.21

Names & synonyms

1,3-diethyl-1,3-dimethylurea31468-19-6RefChem:414378868-863-3dimethyl(diethyl)ureaBosutinib Impurity N9SCHEMBL3448389GBA46819EN300-188792Bosutinib Impurity 43Rivastigmine Impurity 50Rivastigmine Urea Impurity
Show more names
Rivastigmine Hydrogen Tartrate Impurity 50

Database identifiers

CAS
31468-19-6
PubChem CID
19962452
EC Number
868-863-3

Properties

Computed structural properties

XLogP
0.5
Topological polar surface area
23.6 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
1
Rotatable bonds
2
Heavy atoms
10
Formal charge
0
Complexity
102

Physicochemical properties

Melting point
135 °C · 135 °C
Boiling point
206.4 · 206.4±9.0 °C(Predicted)
Density
0.926 · 0.926±0.06 g/cm3(Predicted)
pka
-0.61 · -0.61±0.70(Predicted)
Symbol(GHS)
7 · GHS07
Signal word
Warning
Hazard statements
319 · H319-H302-H315-H335
Precautionary statements
264 · P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362-P264-P270-P301+P312-P330-P501

Safety & regulation

Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.

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.

Hazard information

Hazard Classes and CategoriesAcute Tox. 4 (100%)

Safety data

Signal word
Warning
Symbol(GHS)
GHS07
Hazard statements
H319-H302-H315-H335
Precautionary statements
P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362-P264-P270-P301+P312-P330-P501

Related reactions

0 records
New reaction record

No reaction records under the current filter.

Compound notes

Loading…

On this pageBasic informationNames & identifiersPropertiesSafety & regulationRelated reactionsCompound notes
More actions
New noteNew reactionRequest quotes