Basic information
- CAS
25413-64-3- Standard SMILES
CCCCN(CCC)N=O- InChIKey
SVTBQUKRCVPUHS-UHFFFAOYSA-N- Molecular formula
- C7H16N2O
- Average molar mass
- 144.21 g/mol
- Monoisotopic mass
- 144.12626314
Overview
N-butyl-N-propylnitrous amide is a nitrosamine.
Names & identifiers
- Preferred name
- Butyl(nitroso)propylamine
- IUPAC
- N-butyl-N-propylnitrous amide
- English name
- N-butyl-N-propyl-nitrous amide
- Molecular formula
- C7H16N2O
- Molecular weight
- 144.21
Names & synonyms
butyl(nitroso)propylamineN-Nitroso-N-propyl-1-butanamineRefChem:571802690-384-1N-Propyl-N-butylnitrosamine25413-64-3N-butyl-N-propylnitrous amideN-Nitroso-N-butyl-N-propylamineN-(Nitrosobutyl)propylamineCCRIS 1248Butylamine, N-nitroso-N-propyl-1-BUTANAMINE, N-NITROSO-N-PROPYL-
Show more names
N-PropylbutylnitrosamineN-NITROSOBUTYLPROPYLAMINEN-Propyl-N-butylnitrosoamineN-NITROSO-N-BUTYLPROPYLAMINE
BRN 2410643N-butyl-N-propyl-nitrous amideN-Nitroso-N-propylbutylamineAF6BK37MN9N-NITROSOPROPYLBUTYLAMINESCHEMBL10792995DTXSID80180076CHEBI:231542
Database identifiers
- CAS
25413-64-3- PubChem CID
- 32965
- DTXSID
DTXSID80180076- ChEBI
CHEBI:231542- UNII
- AF6BK37MN9
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 32.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 85.7
Experimental & physicochemical properties
LogP2.13
Physicochemical properties
- Boiling point
- 262.84 °C · 262.84°C (rough estimate)
- Density
- 1.0176 · 1.0176 (rough estimate)
- refractive index
- 1.458 · 1.4580 (estimate)
- pka
- -3.16 · -3.16±0.70(Predicted)
- Symbol(GHS)
- 7 · GHS07,GHS08,GHS06
- Signal word
- Danger
- Hazard statements
- 301 · H301-H319-H350-H315-H335
- Precautionary statements
- 264 · P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362-P264-P270-P301+P310-P321-P330-P405-P501
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
This chemical does not meet GHS hazard criteria for 60% (3 of 5) of all reports.
Danger
H301 (40%): Toxic if swallowed [Danger Acute toxicity, oral]
P203, P261, P264, P264+P265, P270, P271, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P318, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 5 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 3 (40%)
Safety data
- Signal word
- Danger
- Symbol(GHS)
- GHS07,GHS08,GHS06
- Hazard statements
- H301-H319-H350-H315-H335
- Precautionary statements
- P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362-P264-P270-P301+P310-P321-P330-P405-P501
Chemistry & industry
Suppliers2 total
上海贝万塔生物科技有限公司021-67187366 19901745723 · [email protected]
BOC Sciences+1-631-485-4226 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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