1-(Nitrosopropylamino)-2-propanol
Completing data — refresh the page later to see the latest
Basic information
- CAS
39603-53-7- Standard SMILES
CCCN(CC(C)O)N=O- InChIKey
QGPXRTNFZOBMQX-UHFFFAOYSA-N- Molecular formula
- C6H14N2O2
- Average molar mass
- 146.19 g/mol
- Monoisotopic mass
- 146.10552769
Names & identifiers
- Preferred name
- 1-(Nitrosopropylamino)-2-propanol
- IUPAC
- N-(2-hydroxypropyl)-N-propylnitrous amide
- English name
- 2-hydroxypropyl-n-propylnitrosamine
- Molecular weight
- 0
Names & synonyms
1-(Nitrosopropylamino)-2-propanol2-Hydroxypropyl-n-propylnitrosamine39603-53-7n-nitroso-beta-hydroxypropylpropylamineRefChem:87609Propyl-2-hydroxypropylnitrosamine2-Hppnbeta-HppnCCRIS 32112-Hydroxypropylpropylnitrosaminebeta-Hydroxypropylpropylnitrosamine(2-Hydroxypropyl)propylnitrosoamine
Show more names
1-[Nitroso(propyl)amino]-2-propanolN-NITROSO-N-(2-HYDROXYPROPYL)-N-PROPYLAMINE
N-Nitroso(2-oxopropyl)-N-propylamineBRN 5919739N-(2-hydroxypropyl)-N-propylnitrous amideN-Nitroso-2-hydroxy-n-propyl-n-propylaminePropylamine, N-(2-hydroxypropyl)-N-nitroso-CHEMBL167506SCHEMBL3500660DTXSID70960203
Database identifiers
- CAS
39603-53-7- PubChem CID
- 91629
- DTXSID
DTXSID70960203- ChEMBL
CHEMBL167506- Nikkaji
- J35.381G
Properties
Computed structural propertiesFilling in
- XLogP
- 0.8
- Topological polar surface area
- 52.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 97.7
Physicochemical properties
- Boiling point
- 265.81 °C · 265.81°C (rough estimate)
- Density
- 1.136 · 1.1360 (rough estimate)
- refractive index
- 1.465 · 1.4650 (estimate)
- CAS DataBase Reference
- 39603 · 39603-53-7
- Toxicity
- 500 nmol/plate · mma-sat 500 nmol/plate ZKKOBW 86,293,76
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Toxicity
- mma-sat 500 nmol/plate ZKKOBW 86,293,76
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…