Basic information
- CAS
25726-99-2- Standard SMILES
CCCCN(CCC#N)CCCC- InChIKey
XNHGXTPCDNEDCH-UHFFFAOYSA-N- Molecular formula
- C11H22N2
- Average molar mass
- 182.31 g/mol
- Monoisotopic mass
- 182.17829871
Names & identifiers
- Preferred name
- Propanenitrile, 3-(dibutylamino)-
- IUPAC
- 3-(dibutylamino)propanenitrile
- English name
- 3-(DIBUTYLAMINO)PROPIONITRILE
- Molecular formula
- C11H22N2
- Molecular weight
- 182.31
Names & synonyms
3-(Dibutylamino)propanenitrile3-(Dibutylamino)propionitrilePropanenitrile, 3-(dibutylamino)-EINECS 247-211-63-Bis(N-n-butyl)aminopropiononitrileNSC 62640BRN 1705000AI3-32937PROPIONITRILE, 3-AMINO-N,N-DIBUTYL-DTXSID601804134-04-00-02543 (Beilstein Handbook Reference)RefChem:869087
Show more names
TIMTEC-BB SBB005842LABOTEST-BB LTBB0013293-(dibutylamino)-propionitril3-(dibutylamino)-propanenitrilB-DI-N-BUTYLAMINOPROPIONITRILE3-(Dibutylamino)propiononitrile3-amino-n,n-dibutyl-propionitril3-(DI-N-BUTYLAMINO)PROPIONITRILE
DTXCID70102904Propanenitrile, 3-(dibutylamino)-(9CI)Propionitrile, 3-(dibutylamino)-(6CI,7CI,8CI)247-211-625726-99-2N,N-Dibutyl-3-aminopropionitrilePropionitrile, 3-(dibutylamino)-NSC-62640
Database identifiers
- CAS
25726-99-2- PubChem CID
- 33155
- DTXSID
DTXSID60180413- UNII
- V68736X2ZN
- EC Number
- 247-211-6
- Nikkaji
- J27.771A
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 27 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 8
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 137
Experimental & physicochemical properties
SpringerMaterials PropertiesSurface tension
Physicochemical properties
- Boiling point
- 120 °C · 120 °C (10 mmHg)
- Density
- 0.8513 · 0.8513
- refractive index
- 1.44 · 1.44-1.444
- pka
- 8.32 · 8.32±0.50(Predicted)
- CAS DataBase Reference
- 25726 · 25726-99-2
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 319 · H319-H315-H335
- Precautionary statements
- 264 · P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
- Hazard Codes
- Xi
- Risk Statements
- 36 · 36/37/38
- Safety Statements
- 37 · 37/39-26
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
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 22 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory InformationPMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- tsca
- TSCA listed
- hs_code
- 29269095
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 37/39-26
- Hazard statements
- H319-H315-H335
- Precautionary statements
- P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationPropanenitrile, 3-(dibutylamino)-: ACTIVE
Upstream & downstream products
Downstream products
Suppliers6 total
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
武汉易泰科技有限公司上海分公司18930552037 · [email protected]
梯希爱（上海）化工贸易有限公司021-61109150 · [email protected]
赛默飞世尔科技（中国）有限公司800-810-5118 · [email protected]
山东小野化学股份有限公司0539-6362799 20）
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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