Basic information
- CAS
106847-76-1- Standard SMILES
CCCCN(CCCC)C1CCCCN2CCCN=C12- InChIKey
MGKYTFDYDXZTEM-UHFFFAOYSA-N- Molecular formula
- C17H33N3
- Average molar mass
- 279.5 g/mol
- Monoisotopic mass
- 279.26744807
Names & identifiers
- Preferred name
- 6-(Dibutylamino)-1,8-diazabicyclo[5.4.0]undec-7-ene
- IUPAC
- N,N-dibutyl-2,3,4,6,7,8,9,10-octahydropyrimido[1,2-a]azepin-10-amine
- English name
- 6-(DIBUTYLAMINO)-1,8-DIAZABICYCLO[5.4.0]UNDEC-7-ENE
- Molecular formula
- C17H33N3
- Molecular weight
- 279.46
Names & synonyms
106847-76-16-(Dibutylamino)-1,8-diazabicyclo[5.4.0]undec-7-eneDTXSID103981476-(dibutylamino)-1,8-diazabicyclo(5.4.0)undec-7-eneRefChem:306772DTXCID40349006627-341-3N,N-dibutyl-2,3,4,6,7,8,9,10-octahydropyrimido[1,2-a]azepin-10-aminestarbld0037716SCHEMBL5807816-dibutylamino-1,8-diazabicyclo[5.4.0]undec-7-eneAKOS024307454
Show more names
6-(Dibutylamino)-1,8-diazabicyclo[5.4.0]undec-7-ene 98%Pyrimido[1,2-a]azepin-10-amine, N,N-dibutyl-2,3,4,6,7,8,9,10-octahydro-
ST503197526-(Dibutylamino)-1,8-diazabicyclo[5.4.0]undec-7-ene, 98%dibutyl-2,3,4,5-tetrahydro-6H,7H,8H,9H,10H-pyrimidino[1,2-a]azaperhydroepin-10 -ylamine
Database identifiers
- CAS
106847-76-1- PubChem CID
- 3945075
- DTXSID
DTXSID10398147- EC Number
- 627-341-3
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 18.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 7
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 293
Physicochemical properties
- Boiling point
- 312 °C · 312 °C(lit.)
- Density
- 0.942 g/mL · 0.942 g/mL at 25 °C(lit.)
- refractive index
- 20 · n20/D 1.5(lit.)
- Flash point
- 230 °F · >230 °F
- solubility
- 2 O: · H2O: insoluble
- Water Solubility
- 2 O: · H2O: insolubleorganic solvents: soluble
- InChI
- 1S/C17H33N3/c1-3-5-12-19(13-6-4-2)16-10-7-8-14-20-15-9-11-18-17(16)20/h16H,3-15H2,1-2H3
- InChIKey
- MGKYTFDYDXZTEM-UHFFFAOYSA-N
- SMILES
- CCCCN(CCCC)C1CCCCN2CCCN=C12
- UNSPSC Code
- 12162002 · 12162002
- NACRES
- 23 · NA.23
- Symbol(GHS)
- 5 · GHS05
- Signal word
- Danger
- Hazard statements
- 314 · H314
- Precautionary statements
- 280 · P280-P303+P361+P353-P304+P340+P310-P305+P351+P338-P363-P405
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
Danger
H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
P260, P264, P264+P265, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P363, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesSkin Corr. 1B (100%)
Safety data
- PPE
- Faceshields, Gloves, Goggles, type ABEK (EN14387) respirator filter
- wgk
- 3
- ridadr
- UN 1760 8/PG 2
- risk_code
- 34
- Signal word
- Danger
- Symbol(GHS)
- GHS05
- hazard_code
- C
- safety_code
- 26-36/37/39-45
- Storage Class
- 8A - Combustible corrosive hazardous materials
- Hazard statements
- H314
- Hazard Classifications
- Eye Dam. 1Skin Corr. 1B
- Precautionary statements
- P280-P303+P361+P353-P304+P340+P310-P305+P351+P338-P363-P405
Chemistry & industry
Applications
UsesAccelerator for polymerization reactions.
Suppliers8 total
Aladdin Scientific[email protected]
杭州宇昊化工科技有限公司0571-82693216 · [email protected]
Sigma-Aldrich西格玛奥德里奇(上海)贸易有限公司021-61415566 800-8193336 · [email protected]
Alfa Chemistry1-516-6625404 · [email protected]
ZHENGZHOU JIUYI TIME NEW MATERIALS CO,.LTD+8613676922317 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
北京珐默兹医药科技有限公司15811073878 · [email protected]
济南思考化学有限公司0531-0000 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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