Basic information
- CAS
111-53-5- Standard SMILES
CN(C)CC#CCN(C)C- InChIKey
FFDFQBBNDKGBGI-UHFFFAOYSA-N- Molecular formula
- C8H16N2
- Average molar mass
- 140.23 g/mol
- Monoisotopic mass
- 140.13134852
Names & identifiers
- Preferred name
- 1,4-Bis(dimethylamino)-2-butyne
- IUPAC
- N,N,N',N'-tetramethylbut-2-yne-1,4-diamine
- English name
- 1,4-BIS(DIMETHYLAMINO)-2-BUTYNE
- Molecular formula
- C8H16N2
- Molecular weight
- 140.23
Names & synonyms
1,4-Bis(dimethylamino)-2-butyne111-53-52-Butyne-1,4-diamine, N,N,N',N'-tetramethyl-N,N,N',N'-Tetramethyl-2-butyne-1,4-diamineNSC 5787EINECS 203-880-6BRN 174627790B3HPN3J2AI3-24574NSC-57872-Butyne-1,4-diamine, N1,N1,N4,N4-tetramethyl-UNII-90B3HPN3J2
Show more names
n,n,n’,n’-tetramethyl-2-butyne-4-diamineN,N,N',N'-Tetramethyl-2-butyn-1,4-diamine
N1,N1,N4,N4-TETRAMETHYL-2-BUTYNE-1,4-DIAMINEDTXSID50594044-04-00-01392 (Beilstein Handbook Reference)RefChem:73141DTXCID5033200203-880-6N,N,N',N'-tetramethylbut-2-yne-1,4-diamineN,N,N',N'-Tetramethylbut-2-ynylenediamine
Database identifiers
- CAS
111-53-5- PubChem CID
- 66075
- DTXSID
DTXSID5059404- UNII
- 90B3HPN3J2
- EC Number
- 203-880-6
- Nikkaji
- J193.594A
Properties
Computed structural properties
- XLogP
- 0.4
- Topological polar surface area
- 6.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 122
Physicochemical properties
- Boiling point
- 92 °C · 92 °C(Press: 31 Torr)
- Density
- 0.8547 g/cm3 · 0.8547 g/cm3
- pka
- 7.73 · 7.73±0.28(Predicted)
- FDA UNII
- 90 B3HPN3J2 · 90B3HPN3J2
- EPA Substance Registry System
- 2 · 2-Butyne-1,4-diamine, N,N,N',N'-tetramethyl- (111-53-5)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302
- Precautionary statements
- 264 · P264-P270-P301+P312-P330-P501
- TSCA
- TSCA listed
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
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 38 reports by companies from 1 notifications to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- tsca
- TSCA listed
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302
- Precautionary statements
- P264-P270-P301+P312-P330-P501
Chemistry & industry
Uses & manufacturing
General Manufacturing Information2-Butyne-1,4-diamine, N1,N1,N4,N4-tetramethyl-: INACTIVE
Upstream & downstream products
Downstream products
Suppliers6 total
武汉易泰科技有限公司上海分公司18930552037 · [email protected]
陕西缔都医药化工有限公司029-81024372 17792795018 · [email protected]
上海琼燕医药科技有限公司086-021-15821262312 15821262312 · [email protected]
SHANGHAI YOUNG-CHEM CHEMICAL CO., LTD.13817489192 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
上海药领医药科技合伙企业（有限合伙）400-6181121 18616383988 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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