Basic information
- CAS
10545-58-1- Standard SMILES
[1H]C([1H])=CC=C([1H])[1H]- InChIKey
KAKZBPTYRLMSJV-LNLMKGTHSA-N- Molecular formula
- C4H6
- Average molar mass
- 54.09 g/mol
Names & identifiers
- Preferred name
- 1,3-Butadiene, 1,1,4,4-tetradeutero-, (E)-
- IUPAC
- 1,1,4,4-tetraprotiobuta-1,3-diene
- English name
- 1,3-BUTADIENE (1,1,4,4-D4)
- Molecular formula
- C4H2D4
- Molecular weight
- 58.12
Names & synonyms
1,3-Butadiene, 1,1,4,4-tetradeutero-, (E)-10545-58-11,1,4,4-tetraprotiobuta-1,3-diene1,3-BUTADIENE (1,1,4,4-D4)1,3-Butadiene--d41,3-Butadiene-1,1,4,4-D4 (gas)1,1,4,4-tetradeuterio-1,3-butadiene1,3-BUTADIENE (1,1,4,4-D4, 98%)+HYDROQUINONE1,3-Butadiene (1,1,4,4-D?, 98%) + hydroquinone
Database identifiers
- CAS
10545-58-1- PubChem CID
- 139183
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 1
- Heavy atoms
- 4
- Formal charge
- 0
- Complexity
- 21
Physicochemical properties
- Melting point
- 49.5 · 49.5-50.5 °C
- CAS Number Unlabeled
- 106 · 106-99-0
Chemistry & industry
Suppliers5 total
盐城通铭生物科技有限公司15195160625 · [email protected]
Clearsynth Labs Limited+91-22-26355700 · [email protected]
热耳科技（上海）有限公司021-64400900 15800436310 · [email protected]
南京昊绿生物科技有限公司025-84622273 17361806303 · [email protected]
青岛腾龙微波科技有限公司0532-83818797 17669478191 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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