Basic information
- CAS
6851-51-0- Standard SMILES
NCCCCNC(N)=O- InChIKey
YANFYYGANIYHGI-UHFFFAOYSA-N- Molecular formula
- C5H13N3O
- Average molar mass
- 131.18 g/mol
- Monoisotopic mass
- 131.10586204
Overview
N-carbamoylputrescine is an N-substituted putrescine where the N-substituent is a carbamoyl group. It is a conjugate base of a N-carbamoylputrescinium(1+).
Names & identifiers
- Preferred name
- N-Carbamoylputrescine
- IUPAC
- 4-aminobutylurea
- English name
- N-carbamoylputrescine
- Molecular formula
- C5H13N3O
- Molecular weight
- 131.18
Names & synonyms
N-carbamoylputrescine6851-51-0(4-aminobutyl)urea4-aminobutylureaUrea, (4-aminobutyl)-Q40BOH7F84CHEBI:17902DTXSID10218639RefChem:163080DTXCID10141130N-(4-Aminobutyl)urea1-(4-aminobutyl)urea
Show more names
Urea, N-(4-aminobutyl)-
UNII-Q40BOH7F84(4-aminobutyl)-UreaSCHEMBL1332569SCHEMBL7963432AKOS005067098C00436EN300-146691Q3869317
Database identifiers
- CAS
6851-51-0- PubChem CID
- 502
- DTXSID
DTXSID10218639- ChEBI
CHEBI:17902- UNII
- Q40BOH7F84
- Nikkaji
- J492.784B
Properties
Computed structural properties
- XLogP
- -1.1
- Topological polar surface area
- 81.1 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 84.3
Physicochemical properties
- Boiling point
- 249 · 249.0±32.0 °C(Predicted)
- Density
- 1.054 · 1.054±0.06 g/cm3(Predicted)
- pka
- 14.2 · 14.20±0.46(Predicted)
- FDA UNII
- 40 BOH7F84 · Q40BOH7F84
Chemistry & industry
Pharmacology
Cellular LocationsCytoplasm
Suppliers2 total
杭州洁汉化工有限公司+86-571-86217390; +8618058761490 · [email protected]
江苏艾康生物医药研发有限公司025-58859352 19370895928 · [email protected]
Additional notes
DefinitionChEBI: N-carbamoylputrescine is an N-substituted putrescine where the N-substituent is a carbamoyl group. It is a conjugate base of a N-carbamoylputrescinium(1+).
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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