1,3-Bis[3-(dimethylamino)propyl]urea

C₁₁H₂₆N₄OCAS 52338-87-1230.36 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₁₁H₂₆N₄O
Molar mass: 230.36 g/mol
Exact mass: 230.2107 Da
logP: 0.39Crippen estimate
Polar surface area: 51.1 Å²
H-bond donors / acceptors: 2 / 3
Rotatable bonds: 8

Hazards

Danger

H315 Causes skin irritation28.9% of notifiers
H317 May cause an allergic skin reaction35.7% of notifiers
H318 Causes serious eye damage81.6% of notifiers
H319 Causes serious eye irritation17.7% of notifiers
H412 Harmful to aquatic life with long lasting effects69.5% of notifiers

Aggregated from 305 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P272, P273, P280, P302+P352, P305+P351+P338, P305+P354+P338, P317, P321, P332+P317, P333+P317, P337+P317, P362+P364, P501

Identifiers

CAS number

52338-87-1

SMILES

CN(C)CCCN=C(O)NCCCN(C)C

InChIKey

FCQPNTOQFPJCMF-UHFFFAOYSA-N

InChI

InChI=1S/C11H26N4O/c1-14(2)9-5-7-12-11(16)13-8-6-10-15(3)4/h5-10H2,1-4H3,(H2,12,13,16)

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

3 names

Urea, N,N′-bis[3-(dimethylamino)propyl]-
Urea, 1,3-bis(3-dimethylaminopropyl)-
N,N′-Bis[3-(dimethylamino)propyl]urea

Work with 1,3-Bis[3-(dimethylamino)propyl]urea

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Bis(2-chloroethyl) ether-1,3-bis[3-(dimethylamino)propyl]urea copolymer68555-36-273 % similar Tetrahydro-2(1H)-pyrimidinone1852-17-161 % similar Dibutylurea1792-17-255 % similar N,N-Dimethylaminopropyl acrylamide3845-76-949 % similar 2-Imidazolidinone120-93-448 % similar N-[3-(Dimethylamino)propyl]methacrylamide5205-93-647 % similar N,N′-1,6-Hexanediylbis[2,2-dimethylhydrazinecarboxamide]69938-76-746 % similar Propamocarb24579-73-545 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook