Butyric acid, 4-(butylnitrosoamino)-3-hydroxy-
Basic information
- CAS
38252-75-4- Standard SMILES
CCCCN(CC(O)CC(=O)O)N=O- InChIKey
QHLTZEVNBVCZTF-UHFFFAOYSA-N- Molecular formula
- C8H16N2O4
- Average molar mass
- 204.22 g/mol
- Monoisotopic mass
- 204.111007
Names & identifiers
- Preferred name
- Butyric acid, 4-(butylnitrosoamino)-3-hydroxy-
- IUPAC
- 4-[butyl(nitroso)amino]-3-hydroxybutanoic acid
- English name
- BUTYRICACID,4-(BUTYLNITROSOAMINO)-3-HYDROXY-
- Molecular formula
- C8H16N2O4
- Molecular weight
- 204.22
Names & synonyms
BRN 226410538252-75-4N-Butyl-N-(2-hydroxy-3-carboxypropyl)nitrosamineBUTYRIC ACID, 4-(BUTYLNITROSOAMINO)-3-HYDROXY-RefChem:3313054-[butyl(nitroso)amino]-3-hydroxybutanoic acidDTXSID509591904-(Butylnitrosoamino)-3-hydroxybutanoic acidBUTYL-(2-HYDROXY-3-CARBOXYPROPYL)NITROSAMINEBUTYRICACID,4-(BUTYLNITROSOAMINO)-3-HYDROXY-Butanoic acid, 4-(butylnitrosoamino)-3-hydroxy-
Database identifiers
- CAS
38252-75-4- PubChem CID
- 37994
- DTXSID
DTXSID50959190- Nikkaji
- J55.502I
Properties
Computed structural properties
- XLogP
- 0.3
- Topological polar surface area
- 90.2 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 7
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 186
Physicochemical properties
- Melting point
- 45 °C · 45 °C
- Boiling point
- 342.71 °C · 342.71°C (rough estimate)
- Density
- 1.2441 · 1.2441 (rough estimate)
- refractive index
- 1.45 · 1.4500 (estimate)
- pka
- 4.16 · 4.16±0.10(Predicted)
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…