1-[4-(Dimethylamino)but-2-ynyl]-1,3,3-trimethylurea
Basic information
- CAS
45121-36-6- Standard SMILES
CN(C)CC#CCN(C)C(=O)N(C)C- InChIKey
VKMQHLLOFGWNAS-UHFFFAOYSA-N- Molecular formula
- C10H19N3O
- Average molar mass
- 197.28 g/mol
- Monoisotopic mass
- 197.15281224
Names & identifiers
- Preferred name
- 1-[4-(Dimethylamino)but-2-ynyl]-1,3,3-trimethylurea
- IUPAC
- 1-[4-(dimethylamino)but-2-ynyl]-1,3,3-trimethylurea
Names & synonyms
CHEMBL7387145121-36-6DTXSID601200996BDBM50229350N-[4-(Dimethylamino)but-2-yn-1-yl]-N,N',N'-trimethylureaN-[4-(Dimethylamino)-2-butyn-1-yl]-N,Na(2),Na(2)-trimethylurea
Database identifiers
- CAS
45121-36-6- PubChem CID
- 199235
- DTXSID
DTXSID601200996- ChEMBL
CHEMBL73871- Nikkaji
- J420.994J
Properties
Computed structural properties
- XLogP
- -0.2
- Topological polar surface area
- 26.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 247
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Compound notes
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